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  <doc>
    <id>50883</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5406</pageFirst>
    <pageLast>5421</pageLast>
    <pageNumber/>
    <edition/>
    <issue>23</issue>
    <volume>16</volume>
    <type>article</type>
    <publisherName>Royal Chemical Society</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Competition of nanoparticle-induced mobilization and immobilization effects on segmental dynamics of an epoxy-based nanocomposite</title>
    <abstract language="eng">The complex effects of nanoparticles on a thermosetting material based on an anhydride cured DGEBA/Boehmite nanocomposite with different particle concentrations is considered. A combination of X-ray scattering, calorimetry, including fast scanning calorimetry as well as temperature modulated calorimetry and dielectric spectroscopy, was employed to study the structure, the vitrification kinetics and the molecular dynamics of the nanocomposites. For the first time in the literature for an epoxy-based composite a detailed analysis of the X-ray data was carried out. Moreover, the unfilled polymer was found to be intrinsically heterogeneous, showing regions with different crosslinking density, indicated by two separate dynamic glass transitions. The glass transition temperature decreases with increasing nanoparticle concentration, resulting from a change in the crosslinking density. Moreover, on the one hand, for nanocomposites the incorporation of nanofiller increased the number of mobile segments for low nanoparticle concentrations, due to the altered crosslinking density. On the other hand, for higher loading degrees the number of mobile segments decreased, resulting from the formation of an immobilized interphase (RAF). The simultaneous mobilization and immobilization of the segmental dynamics cannot be separated unambiguously. Taking the sample with highest number of mobile segments as reference state it was possible to estimate the amount of RAF.</abstract>
    <parentTitle language="eng">Soft Matter</parentTitle>
    <identifier type="doi">10.1039/d0sm00744g</identifier>
    <identifier type="issn">1744-683X</identifier>
    <enrichment key="date_peer_review">17.06.2020</enrichment>
    <enrichment key="RelatedIdentifier">https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/51829</enrichment>
    <enrichment key="PaperofMonth">1</enrichment>
    <author>Paulina Szymoniak</author>
    <author>Brian Richard Pauw</author>
    <author>Xintong Qu</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposite</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>35540</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Evidence of a three-layered structure in ultra-thin PVME and PVME/PS blend films by nano-sized relaxation spectroscopy</title>
    <abstract language="eng">Despite the many controversial discussions about the nanometric confinement effect and the predictions of the three-layer model, much remain not understood and/or experimentally unproven. Here, a combination of Broadband Dielectric Spectroscopy (BDS), Specific Heat Spectroscopy (SHS), and ellipsometry was utilized to investigate the glassy dynamics of ultra-thin films of Poly (vinyl methyl ether) (PVME) and PVME/Polystyrene (PS) 50:50 wt-% miscible blend (thicknesses: 8nm - 200nm). For BDS measurements, a recently developed nano-structured sample arrangement; where ultra-thin films are spin-coated on an ultra-flat highly conductive silicon wafer and sandwiched between a wafer with nanostructured silica nano-spacers, was used. For PVME films, two processes were observed and interpreted to be the α-processes of a bulk-like layer and an absorbed layer to the substrate. BDS and SHS showed that glassy dynamics are bulk-like. However, for films lower than 15nm, BDS showed weakly slowed dynamics. For PVME/PS blend, by a self-assembling process, a nanometer-thin surface layer with a higher molecular mobility is formed at the polymer/air interface. By measuring the dynamic Tg in dependence on the film thickness, both BDS and SHS, showed that the Tg of the whole film was strongly influenced by that nanometer thick surface layer, with a lower Tg.</abstract>
    <enrichment key="eventName">80. Jahrestagung der DPG und DPG-Frühjahrstagung</enrichment>
    <enrichment key="eventPlace">Regensburg</enrichment>
    <enrichment key="eventStart">06.03.2016</enrichment>
    <enrichment key="eventEnd">11.03.2016</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Sherif Madkour</author>
    <author>Paulina Szymoniak</author>
    <author>Mojdeh Heidari</author>
    <author>Regine von Klitzing</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ultra-thin films</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>51829</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>researchdata</type>
    <publisherName>Zenodo</publisherName>
    <publisherPlace>Geneva</publisherPlace>
    <creatingCorporation>Bundesanstalt für Materialforschung und -prüfung (BAM)</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Dataset and Jupyter worksheet interpreting the (results from) small- and wide-angle scattering data from a series of boehmite/epoxy nanocomposites. Accompanies the publication "Competition of nanoparticle-induced mobilization and immobilization effects on segmental dynamics of an epoxy-based nanocomposite"</title>
    <abstract language="eng">Dataset and Jupyter worksheet interpreting the (results from) small- and wide-angle scattering data from a series of boehmite/epoxy nanocomposites. Accompanies the publication "Competition of nanoparticle-induced mobilization and immobilization effects on segmental dynamics of an epoxy-based nanocomposite", by Paulina Szymoniak, Brian R. Pauw, Xintong Qu, and Andreas Schönhals.&#13;
&#13;
Datasets are in three-column ascii (processed and azimuthally averaged data) from a Xenocs NanoInXider SW instrument. Monte-Carlo analyses were performed using McSAS 1.3.1, other analyses are in the Python 3.7 worksheet. Graphics and result tables are output by the worksheet.</abstract>
    <identifier type="doi">10.5281/zenodo.4321087</identifier>
    <enrichment key="ScientificResourceTypeGeneral">Datensatz</enrichment>
    <enrichment key="ScientificDateCreatedStart">31.08.2017</enrichment>
    <enrichment key="ScientificDateCreatedEnd">20.10.2017</enrichment>
    <enrichment key="ScientificGeolocation">Berlin, Germany</enrichment>
    <enrichment key="ScientificNote">Corrected datasets in three-column ascii format. Data processing worksheet as Jupyter notebook, using Python 3.7.</enrichment>
    <enrichment key="RelatedIdentifier">https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/50883</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Brian Richard Pauw</author>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Small angle scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer nanocomposite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Boehmite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS/WAXS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="literaturgattung" number="">Graue Literatur</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <collection role="unnumberedseries" number="">Forschungsdatensätze der BAM</collection>
  </doc>
  <doc>
    <id>52319</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2775</pageFirst>
    <pageLast>2790</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>17</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Spatial inhomogeneity, Interfaces and Complex Vitrification Kinetics in a Network Forming Nanocomposite</title>
    <abstract language="eng">A detailed calorimetric study on an epoxy-based nanocomposite system was performed employing bisphenol A diglycidyl ether (DGEBA) cured with diethylenetriamine (DETA) as the polymer matrix and taurine-modified MgAL layered double hydroxide (T-LDH) as nanofiller. The -NH2 group of taurine can react with DGEBA improving the interaction of the polymer with the filler. The combined X-ray scattering, and electron microscopy data showed that the nanocomposite has a partially exfoliated morphology. Calorimetric studies were performed with conventional DSC, temperature modulated DSC (TMDSC) and fast scanning calorimetry (FSC) in the temperature modulated approach (TMFSC) to investigate the vitrification and molecular mobility in dependence of the filler concentration. First, TMDSC and NMR were used to estimate the amount of the rigid amorphous fraction which consists of immobilized polymer segments at the nanoparticle surface. It was found to be 40 wt% for the highest filler concentration, indicating that the interface dominates the overall macroscopic properties and behavior of the material to a great extent. Second, the relaxation rates of the α-relaxation obtained by TMDSC and TMFSC were compared with the thermal and dielectric relaxation rates measured by static FSC. The investigation revealed that the system shows two distinct α-relaxation processes. Furthermore, also two separate vitrification mechanisms were found for a bulk network-former without geometrical confinement as also confirmed by NMR. This was discussed in terms of the intrinsic spatial heterogeneity on a molecular scale, which becomes more pronounced with increasing nanofiller content.</abstract>
    <parentTitle language="eng">Soft Matter</parentTitle>
    <identifier type="doi">10.1039/d0sm01992e</identifier>
    <identifier type="issn">1744-6848</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-523199</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.03.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Paulina Szymoniak</author>
    <author>Xintong Qu</author>
    <author>M. Abbasi</author>
    <author>Brian Richard Pauw</author>
    <author>S. Henning</author>
    <author>Z. Li</author>
    <author>D.-Y. Wang</author>
    <author>C. Schick</author>
    <author>K. Saalwächter</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer based Nanocomposites</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/52319/Soft Matter 17_2021_2775.pdf</file>
  </doc>
  <doc>
    <id>58103</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Investigation of the behavior of thin polymeric films including the adsorbed layer on the substrate by nano-sized relaxation spectroscopy and complementary methods</title>
    <abstract language="eng">Thin polymeric films are of great importance of high number of high-tech applications for instance in sensors and nanoelectronics. Form the scientific point of view thin films with thickness below 100 nm are ideal model systems to study confinement effects on its properties for instance on the molecular relaxation processes. In this contribution an overview is presented about the behavior of different systems as investigated by nanosized relaxation spectroscopy like broadband dielectric spectroscopy employing nano structured capacitors and AC chip calorimetry complimented by ellipsometry. The systems considered are PVME1, PVME/PS blends2,3 P2VP4, PBAC5 and polysulfone6. Besides the film also the adsorbed layer on the substrate prepared by a leaching approach and investigated by AFM is considered.1,4-7. For these investigationsss it is found that the adsorbed layer itself exhibits a relaxation dynamics which might be assigned either to molecular motions or to adsorptions desorption kinetics.</abstract>
    <enrichment key="eventName">9. International Discussion Meeting Relaxation Complex Systems</enrichment>
    <enrichment key="eventPlace">Chiba, Japan</enrichment>
    <enrichment key="eventStart">12.08.2023</enrichment>
    <enrichment key="eventEnd">18.08.2023</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Paulina Szymoniak</author>
    <author>Hassan Omar</author>
    <author>Marcel Gawek</author>
    <author>Andreas Hertwik</author>
    <author>Sherif Madkour</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin polymer films</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.2 Material- und Oberflächentechnologien</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>57834</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>14</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley online library</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Structure of plasma deposited acrylic acid‐allyl alcohol copolymers</title>
    <abstract language="eng">Copolymer thin films with two types of functional groups have excellent performance as sensors, for example. The formation and deposition of allyl alcohol‐acrylic acid copolymer films by pulsed high frequency plasma is a complex process. As usual, the chemical composition of the top surface of the films was investigated by XPS and FTIR measurements. Furthermore, contact angle measurements with water were used to characterise the hydrophilicity and wettability of the polymer films.&#13;
After plasma deposition, a significant decrease in functional groups (OH and COOH) was observed compared to the classically copolymerised equivalent.&#13;
The remaining functional groups, i.e. the majority of these groups, were sufficient for application as sensor layers. Segmental mobility and conductivity, important for sensor applications, were analysed by broadband dielectric spectroscopy.</abstract>
    <parentTitle language="eng">Plasma Processes and Polymers</parentTitle>
    <identifier type="doi">10.1002/ppap.202300071</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-578349</identifier>
    <identifier type="issn">1612-8850</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.07.2023</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>Alaa Fahmy</author>
    <author>Hassan Omar</author>
    <author>Paulina Szymoniak</author>
    <author>Andreas Schönhals</author>
    <author>J. Friedrich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Plasma Polymerization</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/57834/Plasma Processes   Polymers - 2023 .pdf</file>
  </doc>
  <doc>
    <id>60959</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Signature of the Adsorbed Layer on the glass transition of thin polymer Films: Broadband Dielectric spectroscopy and related techniques</title>
    <abstract language="eng">In well annealed thin polymer films with non-repulsive polymer/substrate interaction with a substrate an irreversibly adsorbed layer is expected to form. These adsorbed layers have shown a great potential for technological applications [1]. However, the growth kinetics and the molecular mobility of the adsorbed layer is still not fully understood. This concerns also the influence of the adsorbed layer on the thickness dependence of the glass transition temperature of thin films. This is partly due to the difficult accessibility of these layers in thin films. Here, the irreversibly adsorbed layers of semi-rigid mail chain polymers like polycarbonate or polysulfone are revealed by solvent-leaching experiments. First, the growth kinetics of these layers is investigated as a function of annealing time. The film thickness, topography and the quality of the adsorbed layer is controlled by Atomic Force Microscopy (AFM). Secondly, the molecular mobility of the adsorbed layer is investigated by Broadband Dielectric Spectroscopy (BDS). A developed nanostructured capacitor arrangement is employed to measure the layer with a free surface. In addition to the dielectric experiments, spectroscopic Ellipsometry measurements are carried out to estimate the glass transition of the thin films. The thickness dependence of the glass transition of the thin films is correlated with the adsorbed layer [2,3].&#13;
&#13;
Acknowledgments&#13;
D. Hülagü and G. Hidde thanked for the help with the ellipsometry measurements.</abstract>
    <enrichment key="eventName">12. Conference on Broabband Dielectric Spectroscopy and its Application</enrichment>
    <enrichment key="eventPlace">Lisbon, Portugal</enrichment>
    <enrichment key="eventStart">01.09.2024</enrichment>
    <enrichment key="eventEnd">06.09.2024</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Hassan Omar</author>
    <author>Andreas Hertwig</author>
    <author>Paulina Szymoniak</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin films</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>55899</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular Dynamics of nNanophase-Separated Janus Polynorbornenes for gas separation</title>
    <abstract language="eng">Janus polytricyclononenes (PTCN) with rigid backbones and flexible n-alkyl (n = propyl, butyl, hexyl, octyl, decyl) are novel, innovative materials that show potential in separating hydrocarbons. These superglassy polymers were designed to show an enhanced and controllable gas permeability via flexible alkyl side chains that promote mass transport, as opposed to conventional microporous polymers, where permeability is a function of the free-volume entities.  &#13;
&#13;
PTCNs, investigated by small angle X-ray scattering (SAXS), show nanophase separation between the n-alkyl side chains and the backbones. The size of the nanodomains increases with the length of the n-alkyl side groups. In addition, for the alkyl chain-rich nanodomains a distinct α-relaxation was found by means of broadband dielectric spectroscopy (BDS) and temperature modulated DSC (TMDSC). The glass transition of the backbone-rich domains, which is beyond or near to the degradation of the materials, was evidenced by fast scanning calorimetry (FSC) by decoupling it from decomposition, employing high heating rates up to 104 K/s.&#13;
&#13;
Further, Janus PTCNs were studied by quasielastic neutron scattering (QENS) employing the backscattering IN16B (ILL, Grenoble) and time of flight FOCUS (PSI, Villigen) instruments. For an overview of dynamic processes setting in at different temperatures inelastic (IFWS) and elastic fixed window scans (EFWS) were conducted. IFWS showed that the segmental motions of alkyl-rich nanodomains shift to higher temperatures with increasing alkyl chain length, which agrees with SAXS and BDS findings. For the lowest side chain lengths an additional low temperature relaxation process was found, assigned to methyl group rotations.</abstract>
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    <title language="eng">Supramolecular Polymerization Induced by Confined Structural Water in Small Crown Macrocycle</title>
    <abstract language="eng">Structural water, integral to biological systems, i.e., for protein stability and function, has rarely been explored in materials science. Supramolecular polymers, which assemble through non-covalent interactions, offer functionalities such as responsiveness and self-healing. Traditionally, in such systems water is considered as a solvent. Herein, a novel water-induced supramolecular polymer hydrogel is reported, formed by a single crown ether macrocycle with a selenoxide hydrogen bonding receptor and a hydrophobic selenium-substituted core. Structural water was confined in a nanosegregated three-dimensional architecture, maintaining water in a liquid-like state down to -80 °C. Unlike previous studies requiring multiple crown ether units for structural water formation, this single unit system effectively controls structural water and supramolecular polymerization. The presence of confined water was revealed through dielectric and Flash DSC experiments. The resulting hydrogel exhibits exceptional adhesion to hydrophilic surfaces, retaining strength at low temperatures. These findings demonstrate the significant role of a single macrocycle in governing water structure and functionality in supramolecular systems. An expansion of the understanding of water's role beyond a solvent has been achieved, showcasing its potential as a comonomer in material science, particularly in the development of responsive, adhesive supramolecular polymers and hydrogels.</abstract>
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    <title language="eng">One‐Pot Synthesis of High‐Capacity Sulfur Cathodes via In‐Situ Polymerization of a Porous Imine‐Based Polymer</title>
    <abstract language="eng">AbstractLithium‐ion batteries, essential for electronics and electric vehicles, predominantly use cathodes made from critical materials like cobalt. Sulfur‐based cathodes, offering a high theoretical capacity of 1675 mAh g−1 and environmental advantages due to sulfur's abundance and lower toxicity, present a more sustainable alternative. However, state‐of‐the‐art sulfur‐based electrodes do not reach the theoretical capacities, mainly because conventional electrode production relies on mixing of components into weakly coordinated slurries. Consequently, sulfur‘s mobility leads to battery degradation—an effect known as the “sulfur‐shuttle”. This study introduces a solution by developing a microporous, covalently‐bonded, imine‐based polymer network grown in situ around sulfur particles on the current collector. The polymer network (i) enables selective transport of electrolyte and Li‐ions through pores of defined size, and (ii) acts as a robust host to retain the active component of the electrode (sulfur species). The resulting cathode has superior rate performance from 0.1 C (1360 mAh g−1) to 3 C (807 mAh g−1). Demonstrating a high‐performance, sustainable sulfur cathode produced via a simple one‐pot process, our research underlines the potential of microporous polymers in addressing sulfur diffusion issues, paving the way for sulfur electrodes as viable alternatives to traditional metal‐based cathodes.</abstract>
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Sulfur\u2010based cathodes, offering a high theoretical capacity of 1675\u2005mAh\u2009g&lt;jats:sup&gt;\u22121&lt;\/jats:sup&gt; and environmental advantages due to sulfur's abundance and lower toxicity, present a more sustainable alternative. However, state\u2010of\u2010the\u2010art sulfur\u2010based electrodes do not reach the theoretical capacities, mainly because conventional electrode production relies on mixing of components into weakly coordinated slurries. Consequently, sulfur\u2018s mobility leads to battery degradation\u2014an effect known as the \u201csulfur\u2010shuttle\u201d. This study introduces a solution by developing a microporous, covalently\u2010bonded, imine\u2010based polymer network grown in situ around sulfur particles on the current collector. The polymer network (i) enables selective transport of electrolyte and Li\u2010ions through pores of defined size, and (ii) acts as a robust host to retain the active component of the electrode (sulfur species). 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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Guiping Li</author>
    <author>Ye Liu</author>
    <author>Thorsten Schultz</author>
    <author>Moritz Exner</author>
    <author>Ruslan Muydinov</author>
    <author>Hui Wang</author>
    <author>Kerstin Scheurell</author>
    <author>Jieyang Huang</author>
    <author>Paulina Szymoniak</author>
    <author>Nicola Pinna</author>
    <author>Norbert Koch</author>
    <author>Philipp Adelhelm</author>
    <author>Michael J. Bojdys</author>
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      <value>In-situ polymerization</value>
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    <subject>
      <language>eng</language>
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      <value>Sulfur cathodes</value>
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    <title language="eng">Dynamics of nanoscopically confined PVME in thin films of an asymmetric PVME/PS blend</title>
    <abstract language="eng">In recent years, substantial efforts have been devoted to investigating nanoscopic confinement of polymers, and its effect on glassy dynamics. Broadband Dielectric Spectroscopy (BDS) was used to study the dynamics of ultra-thin films of PVME/PS 50/50 wt% blend, employing a novel nano-structured capacitor sample arrangement. The investigated system shows a complex dynamic behavior. First, an α-relaxation, related to a bulk-like layer was found. Second, an α’-relaxation was observed, characteristic for dynamically asymmetric blends, where the out of equilibrium dynamics is attributed to weakly-cooperative PVME segments relaxing within a frozen environment of PS segments. Thirdly, for thinnest films, an Arrhenius-like process was dominant in the dielectric spectra, indicating localized fluctuations of the segments. Relaxation rates of this process resembled that of the degenerated α-relaxation of the adsorbed layer, found for pure PVME, thus it was assigned accordingly. For thinnest films, this process undergoes a further confinement, due to the topological constraints, introduced by PS. Such multiple confinement effect has not been reported for ultra-thin films of polymer blends, before this study.</abstract>
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    <enrichment key="eventStart">12.03.2018</enrichment>
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    <author>Paulina Szymoniak</author>
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      <value>Thin polymeric films</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>44494</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Unexpected behavior of thin PVME/PS blend films investigated by specific heat spectroscopy</title>
    <abstract language="eng">The structure and molecular dynamics of thin polymer films are of topical interest of soft matter-physics. Commonly, spatial structural heterogeneities of 1D confined thin films (surface, bulk-like and adsorbed layer), are expected to alter the glassy dynamics, compared to the bulk. Here, Specific Heat Spectroscopy (SHS) was used, to investigate the glassy dynamics of thin films of an asymmetric miscible PVME/PS 25/75 wt% blend. SHS measurements showed a non-monotonous thickness dependence of the dynamic Tg, on the contrary to the previously investigated PVME/PS 50/50 wt%. For PVME/PS 25/75 wt% thin films (&gt; 30 nm), due to the presence of PVME-rich adsorbed and surface layers, the bulk-like layer experienced a thickness dependent increase of PS concentration. This led to a systematic increase of dynamic Tg. Further decrease of the film thickness (&lt; 30 nm), resulted in a decrease of dynamic Tg, ascribed to the influence of the surface layer, which has a high molecular mobility. This is the first study, which shows deviations of dynamic Tg of thin films, compared to the bulk, resulting from the counterbalance of the free surface and adsorbed layer.</abstract>
    <enrichment key="eventName">Spring Meeting of German Physical Society</enrichment>
    <enrichment key="eventPlace">Berlin, Germany</enrichment>
    <enrichment key="eventStart">12.03.2018</enrichment>
    <enrichment key="eventEnd">16.03.2918</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin polymeric films</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>44254</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5626</pageFirst>
    <pageLast>5635</pageLast>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>20</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Dynamics and ionic conductivity of ionic liquid crystals forming a hexagonal columnar mesophase</title>
    <abstract language="eng">For the first time, the molecular mobility of two linear-shaped tetramethylated guanidinium triflate ionic liquid crystals (ILCs) having different length of alkyl chains were investigated by a combination of broadband dielectric spectroscopy (BDS) and specific heat spectroscopy (SHS). By self-assembly, these ILCs can form a hexagonal ordered mesophase besides plastic crystalline phases and the isotropic state. Three dielectric active processes were found by BDS for both samples. At low temperatures, a γ-process in the plastic crystalline state is observed which is assigned to localized fluctuations of methyl groups including nitrogen atoms in the guanidinium head. At higher temperatures but still in the plastic crystalline state, an α1-process takes place. An α2 process was detected by SHS but with a completely different temperature dependence of the relaxation times than that of the α1-relaxation. This result is discussed in detail, and different molecular assignments of the processes are suggested. At even higher temperatures, electrical conductivity is detected and an increase in the DC conductivity by four orders of magnitude at the phase transition from the plastic crystalline to the hexagonal columnar mesophase is found. This result is traced to a change in the charge transport mechanism from a delocalized electron hopping in the stacked aromatic systems (in the plastic phase) to one dominated by an ionic conduction in the quasi-1D ion channels formed along the supermolecular columns in the ILCs hexagonal mesophases.</abstract>
    <parentTitle language="eng">Physical Chemistry Chemical Physics</parentTitle>
    <identifier type="doi">10.1039/c7cp08186c</identifier>
    <identifier type="issn">1463-9084</identifier>
    <identifier type="issn">1463-9076</identifier>
    <enrichment key="date_peer_review">21.02.2018</enrichment>
    <author>Arda Yildirim</author>
    <author>Paulina Szymoniak</author>
    <author>K. Sentker</author>
    <author>M. Butschies</author>
    <author>A. Bühlmeyer</author>
    <author>P. Huber</author>
    <author>S. Laschat</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ionic liquid crystalls</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>42266</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1156</pageFirst>
    <pageLast>1161</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>6</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Decoupling of dynamic and thermal glass transition in thin films of a PVME/PS blend</title>
    <abstract language="eng">The discussions on the nanoconfinement effect on the glass transition and glassy dynamics phenomena have yielded many open questions. Here, the thickness dependence of the thermal glass transition temperature of thin films of a PVME/PS blend is investigated by ellipsometry. Its thickness dependence was compared to that of the dynamic glass transition (measured by specific heat spectroscopy), and the deduced Vogel temperature (T0). While  and T0 showed a monotonous increase, with decreasing the film thickness, the dynamic glass transition temperature () measured at a finite frequency showed a non-monotonous dependence that peaks at 30 nm. This was discussed by assuming different cooperativity length scales at these temperatures, which have different sensitivities to composition and thickness. This non-monotonous thickness dependence of  disappears for frequencies characteristic for T0. Further analysis of the fragility parameter, showed a change in the glassy dynamics from strong to fragile, with decreasing film thickness.</abstract>
    <parentTitle language="eng">ACS Macro Letters</parentTitle>
    <identifier type="doi">10.1021/acsmacrolett.7b00625</identifier>
    <identifier type="issn">2161-1653</identifier>
    <enrichment key="date_peer_review">06.11.2017</enrichment>
    <author>Sherif Madkour</author>
    <author>Paulina Szymoniak</author>
    <author>Andreas Hertwig</author>
    <author>M. Heidari</author>
    <author>R. von Klitzing</author>
    <author>S. Napolitano</author>
    <author>M. Sferrazza</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin polymeric films</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ellipsometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Specific heat spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>45915</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Rigid Amorphous Phase in Polymer Nanocomposites as Revealed by Relaxation Spectroscopy</title>
    <abstract language="eng">In inorganic/polymer nanocomposites the polymer matrix region near a filler surface, termed as the interphase, is of topical interest due to its possible influence on the macroscopic properties of the material. The segmental dynamics of this interphase is expected to be altered, as compared to the pure matrix, which might percolate into the entire system. It was found that a so-called Rigid Amorphous Phase (RAF) is formed in the interfacial region by adsorption of the polymer segments onto the nanoparticles, yielding in their immobilization. Here, we employed a combination of two relaxation spectroscopy techniques (Broadband Dielectric Spectroscopy (BDS) and Specific Heat Spectroscopy (SHS) in a form of Temperature Modulated DSC (TMDSC)) to investigate the structure and molecular mobility of Epoxy/Inorganic nanofiller composites with different nanoparticles geometries and contents. The two techniques show different perspectives on the glassy dynamics; BDS is sensitive to dipole fluctuations, whereas SHS senses entropy fluctuations. &#13;
First, our dielectric relaxation investigations proved an existence of an additional process in nanocomposites, which is not present in the pure material. Due to the increasing intensity of the process with increasing filler content it was assigned as the α-process related to the segmental dynamics of polymer chains adsorbed onto the nanoparticles. Considering the expected high conductivity effects of the material, the dielectric data were analyzed by fitting a derivative of the HN function to a “conduction-free” loss spectra: ε''deriv=-(∂ε'/∂logω).&#13;
Second, TMDSC measurements were used to study the specific heat capacity of nanocomposites in its nanofiller content dependence. Assuming that RAF is proportional to the decrease of the specific heat capacity step (Δcp) in the glass transition region of the nanocomposites, comparing to the pure material, the inorganic/polymer interphase was quantitatively analyzed and the amount of RAF estimated.</abstract>
    <enrichment key="eventName">10th Conference on Broadband Dielectric Spectroscopy and its Applications</enrichment>
    <enrichment key="eventPlace">Brussels, Belgium</enrichment>
    <enrichment key="eventStart">26.08.2018</enrichment>
    <enrichment key="eventEnd">31.08.2018</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Boehmite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rigid amorphous fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BDS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TMDSC</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>45917</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>poster</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular dynamics of an asymmetric PVME/PS Blend investigated by broadband dielectric and specific heat spectroscopy</title>
    <abstract language="eng">Over the past decades research on the molecular dynamics of miscible polymer blends are of topical interest in the literature, in an attempt to understand the segmental mobilty of individual components, as it is affected by blending. In general, miscible polymer blends exhibit a complex behavior of the molecular mobility. For an A/B blend the relaxation times of component A and component B are affected by the spatial local compositional heterogeneity, present in binary systems on a microscopic level, regardless of the macroscopic homogeneity. Here, a combination of broadband dielectric and specific heat spectroscopy was employed to study the dynamically asymmetric PVME/PS blend with seven different compositions, focusing on samples with high PS contents. Considering that PS is dielectrically invisible, BDS is a powerful technique to study the response of PVME, as it is affected by PS segments. In this work the well-known binary relaxation times distribution of PVME in a blend, originating from the spatial local heterogeneity, was studied over ten decades in frequency, for the first time in literature. Secondly, one of the detected processes, α’-relaxation, shows a crossover from high-temperature behavior (system in equilibrium) towards a low temperature regime, where PS undergoes the thermal glass transition, resulting in confined segmental dynamics of PVME within a frozen network of PS. Here, we introduce a precise mathematical tool to distinguish between the temperature dependency regimes of the process, and examine the composition dependence of the crossover temperature, detected by dielectric spectroscopy. Moreover, the dielectric data was compared in detail with results obtained by specific heat spectroscopy. This comparison provides new insights in the dynamics and dynamic heterogeneity of the PVME/PS blend system.</abstract>
    <enrichment key="eventName">10th Conference on Broadband Dielectric Spectroscopy and its Applications</enrichment>
    <enrichment key="eventPlace">Brussels, Belgium</enrichment>
    <enrichment key="eventStart">26.08.2018</enrichment>
    <enrichment key="eventEnd">31.08.2018</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer blends</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dielectric spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Specific heat spectroscopy</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>45919</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>poster</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Dynamics of nanoscopically confined PVME in thin films of an asymmetric miscible PVME/PS blend</title>
    <abstract language="eng">In recent years, substantial efforts have been devoted to investigating nanoscopic confinement of polymers, and its effect on glassy dynamics. Broadband Dielectric Spectroscopy (BDS) was used to study the dynamics of ultra-thin films of PVME/PS 50/50 wt% blend, employing a novel nano-structured capacitor sample arrangement. The investigated system shows a complex dynamic behavior. First, an α-relaxation, related to a bulk-like layer was found. Second, an α’-relaxation was observed, characteristic for dynamically asymmetric blends, where the out of equilibrium dynamics is attributed to weakly-cooperative PVME segments relaxing within a frozen environment of PS segments. Third, for thinnest films, an Arrhenius-like process was dominant in the dielectric spectra, indicating localized fluctuations of the segments. Relaxation rates of this process resembled that of the degenerated α-relaxation of the adsorbed layer, found for pure PVME [1], thus it was assigned accordingly. For thinnest films, this process undergoes a further confinement, due to the topological constraints, introduced by PS. Such multiple confinement effect has not been reported for ultra-thin films of polymer blends, before this study [2]. &#13;
&#13;
[1] Madkour, S. et al. ACS Appl. Mater. Interfaces 2017, 9, 7535.&#13;
[2] Madkour, S. et al. ACS Appl. Mater. Interfaces 2017, 9, 37289.</abstract>
    <enrichment key="eventName">10th Conference on Broadband Dielectric Spectroscopy and its Applications</enrichment>
    <enrichment key="eventPlace">Brussels, Belgium</enrichment>
    <enrichment key="eventStart">26.08.2018</enrichment>
    <enrichment key="eventEnd">31.08.2018</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer blends</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin polymer films</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dielectric spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Specific heat spectroscopy</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>45148</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>poster</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Rigid amorphous fraction (RAF) in epoxy/Boehmite and epoxy/LDH nanocomposites</title>
    <abstract language="eng">The interphase between the inorganic filler and the polymer matrix is considered as one of the most important characteristics of inorganic/polymer nanocomposites. The segmental dynamics of this interphase is expected to be altered as compared to the pure matrix, which might percolate into the entire system. For instance, it was found that a so-called Rigid Amorphous Phase (RAF) is formed by adsorption of segments onto the nanoparticles yielding to its immobilization. The RAF is available from the decrease of the specific heat capacity Δcp in the glass transition region of the nanocomposites. Here, precise Temperature Modulated DSC (TMDSC) was employed to study Δcp of epoxy/Boehmite nanocomposites with different nanofiller concentrations. Surprisingly, the investigated system showed an increase of Δcp with increasing filler concentration up to 10 wt%. This implies an increased fraction of mobile segments, and is in accordance with the found decreased value of the glass transition temperature Tg. Although for higher filler contents Tg further slightly decreases, Δcp decreases in contrary, indicating a formation of RAF. This behavior was discussed as a competition of mobilization effects, due to an incomplete crosslinking reaction, and the formation of RAF.</abstract>
    <enrichment key="eventName">15thLähnwitzseminar on Calorimetry 2018</enrichment>
    <enrichment key="eventPlace">Rostock, Germany</enrichment>
    <enrichment key="eventStart">04.06.2018</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rigid amorphous fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TMDSC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Boehmite</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>62342</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>241</pageFirst>
    <pageLast>254</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>21</volume>
    <type>article</type>
    <publisherName>RSC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular Mobility of Thin Films of Poly (bisphenol-A carbonate) Capped and with one Free Surface: From Bulk-like Samples down to the Adsorbed Layer</title>
    <abstract language="eng">The molecular mobility of thin films of poly(bisphenol A carbonate) (PBAC) was systematically investigated using broadband dielectric spectroscopy, employing two distinct electrode configurations. First, films were prepared in a capped geometry between aluminum electrodes employing a crossed electrode capacitor (CEC) configuration, down to film thicknesses of 40 nm. The Vogel temperature, derived from the temperature dependence of relaxation rate of the α-relaxation, increases with decreasing film thickness characterized by an onset thickness. The onset thickness depends on the annealing conditions, with less intense annealing yielding a lower onset thickness. Additionally, a broadening of the β-relaxation peak was observed with decreasing thickness, attributed to the interaction of phenyl groups with thermally evaporated aluminum, resulting in a shift of certain relaxation modes to higher temperatures relative to the bulk material. A novel phenomenon, termed the slow Arrhenius process (SAP), was also identified in proximity to the α-relaxation temperature.&#13;
For films with thicknesses below 40 nm, nanostructured electrodes (NSE) were utilized, incorporating nanostructured silica spacers to establish a free surface with air. This free surface causes an enhancement in the molecular mobility for the 40 nm sample, preserving the β-relaxation as a distinct peak. The α-relaxation was detectable in the dielectric loss down to 18 nm, shifting to higher temperatures as film thickness is decreased. Notably, the onset thickness for the increase in Vogel temperature was lower in the NSE configuration compared to the CEC setup, attributed to the presence of the polymer-air interface.</abstract>
    <parentTitle language="eng">Soft Matter</parentTitle>
    <identifier type="doi">10.1039/d4sm01238k</identifier>
    <identifier type="issn">1744-6848</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-623422</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">06.01.2025</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Hassan Omar</author>
    <author>Shayan Ahmadi</author>
    <author>Paulina Szymoniak</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin polymer films</value>
    </subject>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/62342/Soft Matter 21_2025_241_254.pdf</file>
  </doc>
  <doc>
    <id>52035</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Spatial Inhomogeneity, Interfaces and Complex Vitrification Behavior of Epoxy and Corresponding Nanocomposites by Broadband Dielectric Spectroscopy and Hyphenated Calorimetry</title>
    <abstract language="eng">Polymer nanocomposites (PNCs) with inorganic nanofillers dispersed in a polymer matrix have been widely studied from the 1990s, since the pioneering work by Toyota Central Research. The possibility of producing advanced tailor-made, light weight and low-cost materials, inspired academic and commercial research towards numerous potential applications, facilitating PNCs to become a billion-dollar global industry. The introduction of nanoparticles (NPs) to a polymer matrix is expected to result in improved properties. The outstanding performance of PNCs is determined not only by the characteristics of the used components but also by their phase morphology, including the dispersion of NPs and interfacial properties. Understanding of structure-property relationships is particularly important for polymer nanocomposites with high industrial significance, such as epoxy-based materials reinforced with inorganic nanofillers. These PNCs have been successfully adopted by the marine, automotive and aerospace industries, although they are still rarely studied on a fundamental level. Therefore, this thesis aims for a detailed understanding of the structure, molecular mobility and vitrification kinetics first, of two epoxy-based materials with different network structures and second, of the corresponding nanocomposites with different alumina-based nanofillers. The first system considered (EP/T-LDH) was based on bisphenol A diglycidyl ether (DGEBA) cured with diethylenetriamine (DETA) and taurine-modified layered double hydroxide (T-LDH) NPs. The taurine molecule bears additional functionalities that could enhance the interactions between the matrix and the nanofiller, improving the interphase formation. The seconds system (EP/BNP) was based on DGEBA and methyl tetrahydrophtalic acid anhydride (MTHPA) as a hardener, reinforced with boehmite nanoparticles (BNPs). The comparison of the two systems enables for a comparative study on the effect of different hardeners and the morphology and modification of the alumina-based nanofillers on the material behavior. The materials were investigated employing complementary techniques with different sensitivities and frequency windows. The following methodology was used: transmission electron microscopy (TEM), small – and wide – angle X-ray scattering (SAXS/WAXS), broadband dielectric spectroscopy (BDS), calorimetry in a form of conventional DSC and fast scanning calorimetry (FSC), as well as specific heat spectroscopy (SHS) in a form of temperature modulated DSC, temperature modulated FSC and static FSC by calculating the thermal relaxation rates from the cooperativity approach. The FSC method (based on adiabatic chip calorimetry to probe micrometer-sized samples) was successfully employed in this work, exploiting all its possibilities for the first time in literature for a PNC. Moreover, a systematic analysis technique was established to overcome the problem of vague glass transition regions observed for highly loaded PNCs in the heat flow and heat capacity curves. &#13;
First, TEM, SAXS/WAXS and indirectly BDS and SHS were employed to obtain the information about the approximate morphology of the PNCs. It was found that epoxy-based materials exhibit a structural heterogeneity in a form of regions with different average crosslinking density. This was indicated by multiple-peak scattering pattern of the polymer matrix and two distinct α-processes (dynamic glass transition) related to the cooperative fluctuation of the epoxy network found by BDS and SHS. This was described for the first time for epoxy-based materials. The two α-relaxations were evidenced differently for the two systems, which is related to different network structures and dipole moments due to the employed hardeners. Nevertheless, structural heterogeneity is an intrinsic feature of these materials, independent of the type of hardener used for the network formation and nanofiller. In addition, matrix inhomogeneities were more pronounced with increasing nanoparticle content. Furthermore, a powerful new technique was applied for X-ray scattering data, using Monte Carlo fits, to describe the NPs dispersion throughout the whole sample volume (as opposed to the local investigations performed by most researches). Additional structural information of the two systems was extracted by BDS and SHS, such as qualitative and quantitative estimation of polymer segments physically adsorbed and/or chemically bonded onto the nanoparticles. Due to the immobilized character of this interphase with respect to the cooperative segmental motions, it is denoted as a rigid amorphous fraction (RAF). For instance, on the contrary to EP/BNP, for EP/T-LDH a dielectrically active process was found, related to the localized fluctuations within RAF. Moreover, the amount of RAF in EP/T-LDH was reaching up to 40 wt % of the system, whereas in EP/BNP it ranged between 1-7 wt %. In the latter case the presence of NPs was found to simultaneously increase and decrease the number of mobile segments, due to the interphase formation and changes in crosslinking density. The difference between the two systems was ascribed to the presence of additional amine functionalities in the T-LDH nanofiller. &#13;
Second, employing BDS and SHS, a systematic study on the effect of NPs on the segmental dynamics was performed. For example, depending on the nanofiller, the α-processes related to regions with higher crosslinking density was found to shift to higher and lower temperatures with increasing T-LDH and BNPs concentration, respectively. The observed difference is due to the different synergism of the polymer matrix with the nanofiller. &#13;
Third, a detailed investigation of the vitrification kinetics was performed with DSC and FSC. The concentration dependence of the glass transition temperature was found, similar to the behavior of the α-processes. It was shown that, in parallel to the detected main glass transition, epoxy-based materials can exhibit an additional low temperature vitrification mechanism. As expected from the two distinct α-processes, this behavior was however not discussed in prior studies for an unfilled network former. This finding was correlated to the structural heterogeneity evidenced by other techniques. &#13;
This thesis, dealing with an in-depth research on the epoxy-based materials that are already successfully employed in numerous applications underlines the necessity of more fundamental research in this field. It shines light on the complexity of these systems and contributes to defining how the structure-property relationships can be determined by combining multiple experimental techniques and analytical methodology.</abstract>
    <enrichment key="eventName">PhD defense</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">18.12.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Interfaces</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rigid amorphous fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TMDSC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BDS</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>52036</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Spatial Inhomogeneity, Interfaces and Complex Vitrification Behavior of Epoxy-based Materials by Broadband Dielectric Spectroscopy and Calorimetry</title>
    <abstract language="eng">Although in the last decades epoxy-based nanocomposites have been successfully adopted by the marine, automotive and aerospace industries they are still rarely studied on a fundamental level. This work deals with an in-depth comparative investigation of the structure, molecular mobility and vitrification kinetics of three bisphenol A diglycidyl ether (DGEBA)-based materials with different nanofillers: I) taurine-modified layered double hydroxide (T-LDH), II) boehmite (BNPs) and III) halloysite nanotubes (HNTs). Moreover, the effect of different hardeners (diethylene triamine and methyl tetrahydrophtalic acid anhydride) on the unfilled epoxy matrix is addressed as well. The chosen methodology comprises I) small – and wide – angle X-ray scattering (SAXS/WAXS) II) calorimetry in the forms of  a) conventional DSC and b) static fast scanning calorimetry (FSC), III) broadband dielectric spectroscopy (BDS), as well as IV) specific heat spectroscopy in the forms of a) temperature modulated DSC, and b) temperature modulated FSC. The combination of these techniques proved an intrinsic spatial heterogeneity of epoxy-based materials, evidenced by two separate segmental relaxation processes. Although, depending on the hardener the response of the systems to calorimetric and dielectric investigations was different, in a broader sense similar conclusions can be extracted on the structural heterogeneity. As expected from the two distinct α-processes, it was shown that, in parallel to the main glass transition, epoxy-based materials can exhibit an additional low temperature vitrification mechanism, which was not discussed in prior studies for an unfilled network former. Furthermore, the interfacial region (so-called rigid amorphous fraction) was qualitatively and quantitatively addressed, in dependence of the employed nanofiller structure.</abstract>
    <enrichment key="eventName">Webinar University of Southern Denmark</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">20.01.2021</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BDS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Epoxy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rigid amorphous fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TMDSC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Flash DSC</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>57453</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>14473</pageFirst>
    <pageLast>14483</pageLast>
    <pageNumber/>
    <edition/>
    <issue>21</issue>
    <volume>13</volume>
    <type>article</type>
    <publisherName>RSC Publishing</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Growth kinetics of the adsorbed layer of poly(bisphenol A carbonate) and its effect on the glass transition behavior in thin films</title>
    <abstract language="eng">The glass transition behavior of thin films of poly(bisphenol A carbonate) (PBAC) was studied employing ellipsometry. The glass transition temperature increases with the reduction of the film thickness. This result is attributed to the formation of an adsorbed layer with a reduced mobility compared to bulk PBAC. Therefore, for the first time, the growth kinetics of the adsorbed layer of PBAC was investigated, prepared by leaching samples from a 200 nm thin film which were annealed for several times at three different temperatures. The thickness of each prepared adsorbed layer was measured by multiple scans using atomic force microscopy (AFM). Additionally, an unannealed sample was measured. Comparison of the measurements of the unannealed and the annealed samples provides proof of a pre-growth regime for all annealing temperatures which was not observed for other polymers. For the lowest annealing temperature after the pre-growth stage only a growth regime with a linear time dependence is observed. For higher annealing temperatures the growth kinetics changes from a linear to a logarithmic growth regime at a critical time. At the longest annealing times the films showed signs of dewetting where segments of the adsorbed film were removed from the substrate (dewetting by desorption). The dependence of the surface roughness of the PBAC surface on annealing time also confirmed that the films annealed at highest temperatures for the longest times desorbed from the substrate.</abstract>
    <parentTitle language="eng">RSC Advances</parentTitle>
    <identifier type="doi">10.1039/D3RA02020G</identifier>
    <identifier type="issn">2046-2069</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-574531</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">22.05.2023</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Hassan Omar</author>
    <author>Gundula Hiid</author>
    <author>Paulina Szymoniak</author>
    <author>Andreas Hertwig</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ultra thin polymer films</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/57453/RSC Advances 13_2033_14473-14483.pdf</file>
  </doc>
  <doc>
    <id>52697</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Spatial Inhomogeneity, Interfaces and Complex Vitrification Behavior of Epoxy-based Materials</title>
    <abstract language="eng">This work deals with an in-depth comparative investigation of the structure, molecular mobility and vitrification kinetics of three bisphenol A diglycidyl ether (DGEBA)-based materials with different nanofillers: taurine-modified layered double hydroxide (T-LDH) and halloysite nanotubes (HNTs). The chosen methodology comprises I) small – and wide – angle X-ray scattering (SAXS/WAXS) II) calorimetry in the forms of  a) conventional DSC and b) static fast scanning calorimetry (FSC), III) broadband dielectric spectroscopy (BDS), as well as IV) specific heat spectroscopy in the forms of a) temperature modulated DSC, and b) temperature modulated FSC.</abstract>
    <enrichment key="eventName">Abteilungsseminar 6. - FB 6.6</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">06.05.2021</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Broadband dielectric spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Epoxy nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Halloysite nanotubes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Differential scanning calorimetry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rigid amorphous fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Flash DSC</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>61509</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>263</pageFirst>
    <pageLast>275</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>679</volume>
    <type>article</type>
    <publisherName>Elsevier Inc.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The role of lignin as interfacial compatibilizer in designing lignocellulosic-polyester composite films</title>
    <abstract language="eng">Advancing nanocomposites requires a deep understanding and careful design of nanoscale interfaces, as interfacial interactions and adhesion significantly influence the physical and mechanical properties of these materials. This study demonstrates the effectiveness of lignin nanoparticles (LNPs) as interfacial compatibilizer between hydrophilic cellulose nanofibrils (CNF) and a hydrophobic polyester, polycaprolactone (PCL). In this context, we conducted a detailed analysis of surface-to-bulk interactions in both wet and dry conditions using advanced techniques such as quartz crystal microbalance with dissipation (QCM-D), atomic force microscopy (AFM), water contact angle (WCA) measurements, broadband dielectric spectroscopy (BDS), and inverse gas chromatography (IGC).&#13;
QCM-D was employed to quantify the adsorption behavior of LNPs on CNF and PCL surfaces, demonstrating LNPs’ capability to interact with both hydrophilic and hydrophobic phases, thereby enhancing composite material properties. LNPs showed extensive adsorption on a CNF model film (1186 ± 178 ng.cm−2) and a lower but still significant adsorption on a PCL model film (270 ± 64 ng.cm−2). In contrast, CNF adsorption on a PCL model film was the lowest, with a sensed mass of only 136 ± 35 ng.cm−2. These findings were further supported by comparing the morphology and wettability of the films before and after adsorption, using AFM and WCA analyses. Then, to gain insights into the molecular-level interactions and molecular mobility within the composite in dry state, BDS was employed. The BDS results showed that LNPs improved the dispersion of PCL within the CNF network. To further investigate the impact of LNPs on the composites’ interfacial properties, IGC was employed. This analysis showed that the composite films containing LNPs exhibited lower surface energy compared to those composed of only CNF and PCL. The presence of LNPs likely reduced the availability of surface hydroxyl groups, thus modifying the physicochemical properties of the interface. These changes were particularly evident in the heterogeneity of the surface energy profile, indicating that LNPs significantly altered the interfacial characteristics of the composite materials.&#13;
Overall, these findings emphasize the necessity to control the interfaces between components for next-generation nanocomposite materials across diverse applications.</abstract>
    <parentTitle language="eng">Journal of Colloid and Interface Science</parentTitle>
    <identifier type="doi">10.1016/j.jcis.2024.10.083</identifier>
    <identifier type="issn">0021-9797</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-615098</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">06.11.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>E. Kimiaei</author>
    <author>M. Farooq</author>
    <author>Paulina Szymoniak</author>
    <author>Shayan Ahmadi</author>
    <author>S. Babaeipour</author>
    <author>Andreas Schönhals</author>
    <author>M. Österberg</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lignin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposites</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/61509/J_Colloid_and Interface Science_679_2025_263-275.pdf</file>
  </doc>
  <doc>
    <id>62363</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>9</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>16</volume>
    <type>article</type>
    <publisherName>RSC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular engineering of supramolecular polymer adhesive with confined water and a single crown ether</title>
    <abstract language="eng">Here, we report a water-induced supramolecular polymer built from confined structural water and an intrinsic amphiphilic macrocyclic self-assembly in a nanophase separated structure. The newly designed crown ether macrocycle, featuring strong hydrophilic hydrogen bonding receptor selenoxide and a synergistical hydrophobic selenium-substituted crown core, confines the structural water in a segregated, interdigitated architecture. Although water molecules typically freeze around 0 °C, the confined structural water in this supramolecular polymer remains in a liquid-like state down to  80 °C. Previous studies suggest that multiple crown ether units are needed to generate structural water. However, here, one unit is sufficient to control the formation and disappearance of structural water and consequent supramolecular polymerization. Typically, the DC conductivity of water shows Arrhenius temperature dependency (lnσDC ∝ 1/T). In contrast, this new crown unit maintains water in confined states, which exhibit a Vogel/Fulcher/Tammann behavior (lnσDC ∝ 1/(T-T0)) at temperatures above the glass transition temperature. Moreover, this water-induced supramolecular polymer exhibits remarkable adhesion properties to hydrophilic surfaces and maintains tough adhesion at low temperatures. These findings show how a single small macrocycle can govern the complex structure and functionality of water in supramolecular systems.</abstract>
    <parentTitle language="eng">Chemical Science</parentTitle>
    <identifier type="doi">10.1039/D4SC06771A</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-623631</identifier>
    <identifier type="issn">2041-6539</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">13.01.2025</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>Q. Xu</author>
    <author>Paulina Szymoniak</author>
    <author>Mohamed A. Kolmangadi</author>
    <author>Z. Yang</author>
    <author>S. Wang</author>
    <author>Y. Gao</author>
    <author>J. Shang</author>
    <author>J. Hunger</author>
    <author>A. Aldiyarov</author>
    <author>Andreas Schönhals</author>
    <author>Y. Ge</author>
    <author>Z. Qi</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Supramolecular polymerization</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/62363/d4sc06771a.pdf</file>
  </doc>
  <doc>
    <id>51492</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Resolving the mystery of the molecular dynamics of epoxy-based materials using broadband dielectric spectroscopy and hypheneated calorimetry</title>
    <abstract language="eng">A detailed calorimetric and dielectric study on two epoxy-based nanocomposite system was performed employing bisphenol A diglycidyl ether (DGEBA) cured with diethylenetriamine (DETA) and methyl tetrahydrophtalic acid anhydride (MTHPA) aas the polymer matrix and taurine-modified MgAL layered double hydroxide (T-LDH) and boehmite as nanofiller. The molecular dynamics investigation revealed an intrinsic structural heterogeneity of the epoxy materials. Moreover the polymer/particle interphase was qualitatively and quantitavely investigated.</abstract>
    <enrichment key="eventName">Online International Dielectric Society 2020 Workshop</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">28.09.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Interfaces</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rigid amorphous fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BDS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TMDSC</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>60770</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>161</volume>
    <type>article</type>
    <publisherName>AIP Publishing</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Investigations of the adsorbed layer of polysulfone: Influence of the thickness of the adsorbed layer on the glass transition of thin films</title>
    <abstract language="eng">This work studies the influence of the adsorbed layer on the glass transition of thin films of polysulfone. Therefore, the growth kinetics of the irreversibly adsorbed layer of polysulfone on silicon substrates was first investigated using the solvent leaching approach, and the thickness of the remaining layer was measured with atomic force microscopy. Annealing conditions before leaching were varied in temperature and time (0–336 h). The growth kinetics showed three distinct regions: a pre-growth step where it was assumed that phenyl rings align parallel to the substrate at the shortest annealing times, a linear growth region, and a crossover from linear to logarithmic growth observed at higher temperatures for the longest annealing times. No signs of desorption were observed, pointing to the formation of a strongly adsorbed layer.&#13;
Second, the glass transition of thin polysulfone films was studied in dependence on the film thickness using spectroscopic ellipsometry. Three annealing conditions were compared: two with only a tightly bound layer formed in the linear growth regime and one with both tightly bound and loosely adsorbed layers formed in the logarithmic growth regime. The onset thickness and increase in the glass transition temperature increases with annealing time and temperature. These differences were attributed to the distinct conformations of the formed adsorbed layers.</abstract>
    <parentTitle language="eng">The Journal of Chemical Physics</parentTitle>
    <identifier type="doi">10.1063/5.0223415</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-607701</identifier>
    <identifier type="issn">0021-9606</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">12.08.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Hassan Omar</author>
    <author>Shayan Ahamadi</author>
    <author>Deniz Hülagü</author>
    <author>Gundula Hidde</author>
    <author>Andreas Hertwig</author>
    <author>Paulina Szymoniak</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Glass transition</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Adsorbed Layer</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/60770/Journal Chemical Physics_161_2024_054904.pdf</file>
  </doc>
  <doc>
    <id>39558</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>203321-1</pageFirst>
    <pageLast>203321-9</pageLast>
    <pageNumber/>
    <edition/>
    <issue>20</issue>
    <volume>146</volume>
    <type>article</type>
    <publisherName>AIP Publishing</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Unexpected behavior of ultra-thin films of blends of polystyrene/poly(vinyl methyl ether) studied by specific heat spectroscopy</title>
    <abstract language="eng">Specific heat spectroscopy (SHS) employing AC nanochip calorimetry was used to investigate the glassy dynamics of ultra-thin films (thicknesses: 10 nm–340 nm) of a polymer blend, which is miscible in the bulk. In detail, a Poly(vinyl methyl ether) (PVME)/Polystyrene (PS) blend with the composition of 25/75 wt. % was studied. The film thickness was controlled by ellipsometry while the film topography was checked by atomic force microscopy. The results are discussed in the framework of the balance between an adsorbed and a free surface layer on the glassy dynamics. By a self-assembling process, a layer with a reduced mobility is irreversibly adsorbed at the polymer/substrate interface. This layer is discussed employing two different scenarios. In the first approach, it is assumed that a PS-rich layer is adsorbed at the substrate. Whereas in the second approach, a PVME-rich layer is suggested to be formed at the SiO2 substrate. Further, due to the lower surface tension of PVME, with respect to air, a nanometer thick PVME-rich surface layer, with higher molecular mobility, is formed at the polymer/air interface. By measuring the glassy dynamics of the thin films of PVME/PS in dependence on the film thickness, it was shown that down to 30 nm thicknesses, the dynamic Tg of the whole film was strongly influenced by the adsorbed layer yielding a systematic increase in the dynamic Tg with decreasing the film thickness. However, at a thickness of ca. 30 nm, the influence of the mobile surface layer becomes more pronounced. This results in a systematic decrease in Tg with the further decrease of the film thickness, below 30 nm. These results were discussed with respect to thin films of PVME/PS blend with a composition of 50/50 wt.%as well as literature results.</abstract>
    <parentTitle language="eng">The Journal of Chemical Physics</parentTitle>
    <identifier type="doi">10.1063/1.4978505</identifier>
    <identifier type="issn">0021-9606</identifier>
    <identifier type="issn">1089-7690</identifier>
    <enrichment key="date_peer_review">12.06.2017</enrichment>
    <author>Sherif Madkour</author>
    <author>Paulina Szymoniak</author>
    <author>Ch. Schick</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ultra thin polymer films</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>39291</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>7535</pageFirst>
    <pageLast>7546</pageLast>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>9</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace>Washington DC</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Unveiling the dynamics of self-assembled layers of thin films of poly(vinyl methyl ether) (PVME) by nanosized relaxation spectroscopy</title>
    <abstract language="eng">A combination of nanosized dielectric relaxation (BDS) and thermal spectroscopy (SHS) was utilized to characterize the dynamics of thin films of Poly(vinyl methyl ether) (PVME) (thicknesses: 7 nm – 160 nm). For the BDS measurements, a recently designed nano-structured electrode system is employed. A thin film is spin-coated on an ultra-flat highly conductive silicon wafer serving as the bottom electrode. As top electrode, a highly conductive wafer with non-conducting nanostructured SiO2 nano-spacers with heights of 35 nm or 70 nm is assembled on the bottom electrode. This procedure results in thin supported films with a free polymer/air interface. The BDS measurements show two relaxation processes, which are analyzed unambiguously for thicknesses smaller than 50 nm. The relaxation rates of both processes have different temperature dependencies. One process coincidences in its position and temperature dependence with the glassy dynamics of bulk PVME and is ascribed to the dynamic glass transition of a bulk-like layer in the middle of the film. The relaxation rates were found to be thickness independent as confirmed by SHS. Unexpectedly, the relaxation rates of the second process obey an Arrhenius-like temperature dependence. This process was not observed by SHS and was related to the constrained fluctuations in a layer, which is irreversibly adsorbed at the substrate with a heterogeneous structure. Its molecular fluctuations undergo a confinement effect resulting in the localization of the segmental dynamics. To our knowledge, this is the first report on the molecular dynamics of an adsorbed layer in thin films.</abstract>
    <parentTitle language="eng">ACS Applied Materials and Interfaces</parentTitle>
    <identifier type="doi">10.1021/acsami.6b14404</identifier>
    <identifier type="url">http://pubs.acs.org/doi/pdf/10.1021/acsami.6b14404</identifier>
    <identifier type="issn">1944-8244</identifier>
    <enrichment key="date_peer_review">18.04.2017</enrichment>
    <author>Sherif Madkour</author>
    <author>Paulina Szymoniak</author>
    <author>M. Heídari</author>
    <author>R. von Klitzing</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Broadband dielectric spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>AC-nanochip calorimetry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanostructured capacitors</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin films</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>54566</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>335</pageFirst>
    <pageLast>367</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>bookpart</type>
    <publisherName>Springer</publisherName>
    <publisherPlace>Cham, Switzerland</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Epoxy-Based Nanocomposites—What Can Be Learned from Dielectric and Calorimetric Investigations?</title>
    <abstract language="eng">Epoxy-based nanocomposites are promisingmaterials for industrial applications (i.e., aerospace, marine, and automotive industries) due to their extraordinary mechanical and thermal properties. Regardless of the broad field of applications, there is still a considerable need to identify their structure–property relationships. Here, a detailed dielectric and calorimetric (DSC and fast scanning calorimetry) study on different epoxy-based nanocomposites was performed. Bisphenol A diglycidyl ether (DGEBA) cured with diethylenetriamine (DETA) was employed as the polymeric matrix, which was reinforced with three diverse nanofillers that exhibit different interaction strengths with the epoxy matrix (halloysite nanotubes, surface modified halloysite nanotubes, and taurine-modified layered double hydroxide). The structure, molecular mobility, and vitrification behavior are discussed in detail, focusing on the intrinsic structural and dynamic heterogeneity, as well as interfacial properties.</abstract>
    <parentTitle language="eng">Dynamics of Composite Materials</parentTitle>
    <identifier type="doi">10.1007/978-3-030-89723-9_11</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Paulina Szymoniak</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Epoxi nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dynamics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Interphase</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ridis amorphous fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dielectric spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Flash DSC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Temparatur modulated Flash DSC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Temperature modulated DSC</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>61670</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Application of Fast Scanning Calorimetry in Soft Matter Research – Two Examples: 1. Polymers for Gas separation membranes 2. Ionic Liquid Crystals</title>
    <abstract language="eng">The application of fast scanning calorimetry (FSC) with heating rates in the range from 10 K/s to 10,000 K/s in soft matter research is discussed through two examples. In the first part, FSC is applied to polymers of intrinsic microporosity (PIMs). No glass transition could be measured for these polymers by conventional calorimetry before their degradation. By decoupling the time scales of chemical degradation and the glass transition, it could be shown for the first time that PIMs undergo a glass transition. In the second part, FSC is applied to ionic liquid crystals to investigate their molecular mobility. In order to cover a broad dynamical range, FSC is combined with temperature-modulated differential scanning calorimetry, and temperature-modulated FSC.</abstract>
    <enrichment key="eventName">Colloqium at the physics department of the Charles university Prague</enrichment>
    <enrichment key="eventPlace">Prague, Czech Republic</enrichment>
    <enrichment key="eventStart">12.11.2024</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Paulina Szymoniak</author>
    <author>Mohamed A. Kolmangadi</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fast Scanning Calorimetry</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>63692</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Low-Frequency Vibrational Density of States of Nanophase- Separated Poly(n‑alkyl methacrylate)s: Confined Phonons and Relationship to Specific Heat</title>
    <abstract language="eng">This study investigates the low-frequency vibrational Density of states of nanophase-separated poly(n-alkyl methacrylate)s (PnMAs) and its relationship to specific heat. This system undergoes a nanophase separation for n &gt; 1 in alkyl side chain-rich domains and a backbone-rich matrix. Using inelastic neutron scattering, the low-frequency vibrational density of states (Boson peak, BP) of PnMAs with varying alkyl side chain lengths (methyl, butyl, hexyl, and octyl) is measured. The results reveal that the BP shifts to higher frequencies with increasing side chain length reaching a maximum. This result indicates a counterbalance of confinement effects and the scattering of the matrix. The behavior of the Boson peak of the PnMAs is compared to other nanophase-separated systems, such as Janus-polynorbornenes and hexakis(n-alkyloxy)triphenylene discotic liquid crystals. The study also explores the connection between the BP and specific heat capacity, showing a linear relationship between the maximum frequency of the BP and the maximum temperature of the specific heat capacity anomaly. Moreover, from the measured vibrational density of states, the specific heat capacity is calculated and compared to experimental results. The comparison reveals qualitative agreement between the calculated and experimental data. These findings provide evidence for the sound wave interpretation of the Boson peak.</abstract>
    <parentTitle language="eng">Macromolecules</parentTitle>
    <identifier type="doi">10.1021/acs.macromol.5c00898</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-636928</identifier>
    <identifier type="issn">1520-5835</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">21.07.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Paulina Szymoniak</author>
    <author>F. Juranyi</author>
    <author>M. Kruteva</author>
    <author>R. Zorn</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Inelastic Neutron Scattering</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/63692/PnMA_Boson_Peak.pdf</file>
  </doc>
  <doc>
    <id>63718</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular Mobility of Thin Films and the Adsorbed Layer of Poly(2-vinylpyridine)</title>
    <abstract language="eng">The molecular dynamics of thin films and the adsorbed layer of poly(2-vinylpyridine) (P2VP) were investigated using broadband dielectric spectroscopy (BDS) and spectroscopic ellipsometry. Thin films of P2VP were prepared on silicon substrates and characterized to understand the influence of film thickness on the thermal glass transition temperature (Tg) and molecular mobility. The ellipsometric study revealed a decrease in Tg with decreasing film thickness, attributed to the enhanced mobility at the polymer/air interface. The adsorbed layer, prepared via the solvent leaching approach, exhibited a higher Tg compared to the bulk, indicating reduced molecular mobility due to strong polymer substrate interactions. The dielectric measurements were carried out in two different electrode configurations, crossed electrode capacitors (CEC) and nanostructured electrodes (NSE), where the latter allows for a free surface layer at the polymer/air interface. The relaxation rates of the α-relaxation measured in the CEC geometry collapse into one chart independent from the film thickness. For the thin films measured in the NSE arrangement the relaxation rates slow down with decreasing film thickness which was discussed as related to a stronger interaction of the P2VP segments with the native SiO2 at the surface of the silicon substrate compared to aluminum. It is worth to note that the effect of the enhanced mobility at the polymer/air interface is not observed in the dielectric measurements. BDS measurements in NSE geometry identified an additional relaxation process (α*-relaxation) in thin films, which was more pronounced in the adsorbed layer. This process is hypothesized to be related to molecular fluctuations within the adsorbed layer including the adsorption/desorption dynamics of segments or to a Slow Arrhenius Process (SAP) related to the equilibration dynamics deep in the glassy state.</abstract>
    <parentTitle language="eng">Soft Matter</parentTitle>
    <identifier type="doi">10.1039/d5sm00539f</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-637181</identifier>
    <identifier type="issn">1744-6848</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">28.07.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Marcel Gawek</author>
    <author>Paulina Szymoniak</author>
    <author>Deniz Hülagü</author>
    <author>Andreas Hertwig</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin polymer films</value>
    </subject>
    <collection role="ddc" number="62">Ingenieurwissenschaften</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/63718/D5SM00539F.pdf</file>
  </doc>
  <doc>
    <id>60871</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>14</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Confined Segmental Diffusion in Nanophase Separated Janus Polynorbornenes as Investigated by Quasielastic Neutron Scattering</title>
    <abstract language="eng">A combination of neutron time-of-flight and neutron backscattering spectroscopy was used to investigate the molecular dynamics of Janus polynorbornenes (Janus poly(tricyclononenes)) on a microscopic level.&#13;
These Janus polynorbornenes, denoted as PTCNSiOR, have a semirigid backbone with −Si(OR)3 side groups attached to it. R represents the length of the alkyl side chain. Here side chain lengths of R = 3 (propyl) and R = 8 (octyl) were considered. It is worth mentioning that these polymers have some potential as active layers in gas separation membranes, especially for the separation of higher hydrocarbons. The combination of time-of-flight and backscattering will ensure a reasonably broad time window for analysis where the incoherent intermediate scattering function SInc(q,t) is considered. Previously, it was shown by X-ray investigations that the system undergoes a nanophase separation into alkyl side chain-rich domains surrounded by a backbone-rich matrix. For PTCNSiOPr (R = 3), the alkyl side-chain-rich domains are truly isolated in the backbone-rich matrix, whereas for PTCNSiOOc (R = 8) these domains percolate through the matrix. Further, it was also previously shown that the alkyl side-chain-rich domains undergo a glass transition. The advantage of neutron scattering experiments discussed here is that besides temporal also spatial information is obtained which will allow conclusions to be drawn about the type of molecular fluctuations. At the lowest measured temperature, the decay in Sinc(q,t) is due to the methyl group rotation. The methyl group dynamics is analyzed in terms of a modified jump-diffusion in a 3-fold potential and yields to a reasonable fraction of hydrogens which contribute to the methyl group rotation. At higher temperatures, the decay in SInc(q,t) is due to both the methyl group rotation and the segmental dynamics in the alkyl side-chain-rich domains. The segmental diffusion is modeled by a sublinear diffusion. For the analysis of the scattering function SInc(q,t) of PTCNSiOPr an elastic scattering due to the immobilized backbone-rich matrix must be taken into account. The analysis reveals that the segmental dynamics is confined by the finite size of alkyl chain-rich domains and that it is intrinsically heterogeneous in nature. Both effects are more pronounced for PTCNSiOPr in comparison to those of PTCNSiOOc.</abstract>
    <parentTitle language="eng">Macromolecules</parentTitle>
    <identifier type="doi">10.1021/acs.macromol.4c01045</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-608712</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">02.09.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Paulina Szymoniak</author>
    <author>Mohamed A. Kolmangadi</author>
    <author>Martin Böhning</author>
    <author>B. Frick</author>
    <author>M. Apple</author>
    <author>R. A. Mole</author>
    <author>N. R. De Souza</author>
    <author>R. Zorn</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polynorbornene</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quasielastic Neutron Scattering</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/60871/szymoniak-et-al-2024-cofinded.pdf</file>
  </doc>
  <doc>
    <id>63029</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>241</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>328</volume>
    <type>article</type>
    <publisherName>Elsevier Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Inelastic and Quasielastic Neutron Scattering on Polynorbornenes with Bulky Carbocyclic Side groups</title>
    <abstract language="eng">This study investigates the molecular mobility and vibrational properties of polynorbornenes with bulky carbocyclic side groups using inelastic and quasielastic neutron scattering techniques. The polymers, synthesized via metathesis and addition polymerization, exhibit varying degrees of microporosity, which ignificantly influences their gas separation performance. By inelastic neutron scattering experiments, it could be shown that all considered polymers have excess contributions to the low frequency vibrational density of states known as the Boson peak. The maximum frequency of the Boson peak correlates to the microporosity of the polymers. &#13;
This correlation supports the sound wave interpretation of the Boson peak, suggesting that the microporous structure enhances the compressibility of the material at a microscopic length scale. The molecular mobility, particularly the methyl group rotation, was characterized using elastic scans and quasielastic neutron scattering. The study revealed a temperature dependent relaxation process, with the onset of molecular fluctuations observed around 200 K for the polymer containing methyl groups. For the polymer having no methyl groups only elastic scattering is observed. The methyl group rotation was analyzed in terms of a jump diffusion in a threefold potential with three equivalent energy minima. This leads to an almost correct description of the q dependence of the elastic incoherent scattering function when the number of hydrogen nuclei undergoing the methyl group rotation is considered. It was further evidenced that the fraction of methyl undergoing the methyl group rotation increases with increasing temperature.</abstract>
    <parentTitle language="eng">Polymer</parentTitle>
    <identifier type="doi">10.1016/j.polymer.2025.128358</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-630297</identifier>
    <identifier type="issn">1873-2291</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">02.06.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Paulina Szymoniak</author>
    <author>Mohamed A. Kolmangadi</author>
    <author>Martin Böhning</author>
    <author>N. R. De Souza</author>
    <author>F. Juranyi</author>
    <author>R. Zorn</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymers of Intrinsic Microporosity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Neutron scattering</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/63029/Polymer_328_2025_128358.pdf</file>
  </doc>
  <doc>
    <id>60411</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>RSC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Microscopic molecular mobility of high-performance polymers of intrinsic microporosity revealed by neutron scattering – bend fluctuations and signature of methyl group rotation</title>
    <abstract language="eng">Polymers of intrinsic microporosity exhibit a combination of high gas permeability and reasonable permselectivity, which makes them attractive candidates for gas separation membrane materials. The diffusional selective gas transport properties are connected to the molecular mobility of these polymers in the condensed state. Incoherent quasielastic neutron scattering was carried out on two polymers of intrinsic microporosity, PIM-EA-TB(CH3) and its demethylated counterpart PIM-EA-TB(H2), which have high Brunauer–Emmett–Teller surface area values of 1030 m2 g-1 and 836 m2 g-1, respectively. As these two polymers only differ in the presence of two methyl groups at the ethanoanthracene unit, the effect of methyl group rotation can be investigated solely. To cover a broad dynamic range, neutron time-of-flight was combined with neutron backscattering. The demethylated PIM-EA-TB(H2) exhibits a relaxation process with a weak intensity at short times. As the backbone is rigid and stiff this process was assigned to bendand-flex fluctuations. This process was also observed for the PIM-EA-TB(CH3). A further relaxation process is found for PIM-EA-TB(CH3), which is the methyl group rotation. It was analyzed by a jump-diffusion in a three-fold potential considering also the fact that only a fraction of the present hydrogens in PIM-EATB(CH3) participate in the methyl group rotation. This analysis can quantitatively describe the q dependence of the elastic incoherent structure factor. Furthermore, a relaxation time for the methyl group rotation can be extracted. A high activation energy of 35 kJ mol-1 was deduced. This high activation energy evidences a strong hindrance of the methyl group rotation in the bridged PIM-EA-TB(CH3) structure.</abstract>
    <parentTitle language="eng">Soft Matter</parentTitle>
    <identifier type="doi">10.1039/d4sm00520a</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-604114</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">26.06.2024</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>R. Zorn</author>
    <author>Paulina Szymoniak</author>
    <author>Mohamed Aejaz Kolmangadi</author>
    <author>R. Malpass-Evans</author>
    <author>N. McKeown</author>
    <author>N. Jalarvo</author>
    <author>M. Tyagi</author>
    <author>Martin Böhning</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymers of Intrinsic Microporosity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Neutron Scattering</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/60411/D4SM00520A.pdf</file>
  </doc>
  <doc>
    <id>53849</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>16</pageLast>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>11</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Low frequency vibrations and diffusion in disordered polymers bearing an intrinsic microporosity as revealed by neutron scattering</title>
    <abstract language="eng">The microscopic diffusion and the low frequency density of states (VDOS) of PIM-EATB(CH3) are investigated by inelastic and quasi-elastic neutron scattering where also the demethylated counterpart of PIM-EA-TB(H2) is considered. These intrinsic microporous polymers are characterized by large BET surface area values of several hundred m2/g and pore sizes between 0.5 and 2 nm. Detailed comparison is made to the archetype of polymers of intrinsic microporosity, PIM-1, and polynorbornenes also bearing a microporosity. Due to the wavelength of neutrons, the diffusion and vibrations can be addressed on microscopic length and time scales. From the inelastic neutron scattering experiments the low frequency density of states (VDOS) is estimated which shows excess contributions to the Debye-type VDOS known as Boson peak. It was found that the maximum frequency of the Boson peak decreases with increasing microporosity characterized by the BET surface area. However, besides the BET surface area, additional factors such as the backbone stiffness govern the maximum frequency of the Boson peak. Further the mean squared displacement related to microscopic motions was estimated from elastic fixed window scans. At temperatures above 175 K, the mean squared displacement PIM-EA-TB(CH3) is higher than that for the demethylated counterpart PIM-EA-TB(H2). The additional contribution found for PIM-EATB(CH3) is ascribed to the rotation of the methyl group in this polymer because the only difference between the two structures is that PIM-EA-TB(CH3) has methyl groups where PIM-EA-TB(H2) has none. A detailed comparison of the molecular dynamics is also made to that of PIM-1 and the microporous polynorbornene PTCNSi1. The manuscript focuses on the importance of vibrations and the localized molecular mobility characterized by the microscopic diffusion on the gas Transport in polymeric separation membranes. In the frame of the random gate model localized fluctuations can open or close bottlenecks between pores to enable the diffusion of gas molecules.</abstract>
    <parentTitle language="eng">Crystals</parentTitle>
    <identifier type="doi">10.3390/cryst11121482</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-538490</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">21.01.2022</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>R. Zorn</author>
    <author>Paulina Szymoniak</author>
    <author>Mohamed Aejaz Kolmangadi</author>
    <author>R. Malpass-Evans</author>
    <author>N. McKeown</author>
    <author>M. Tyagi</author>
    <author>Martin Böhning</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer of intrisic microporosity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Neutron scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Boson peak</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Methyl group rotation</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/53849/crystals_11_2021_01482.pdf</file>
  </doc>
  <doc>
    <id>54708</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2143</pageFirst>
    <pageLast>2155</pageLast>
    <pageNumber/>
    <edition/>
    <issue>7</issue>
    <volume>62</volume>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular mobility in high-performance polynorbornenes:A combined broadband dielectric, advanced calorimetry,and neutron scattering investigation</title>
    <abstract language="eng">The molecular dynamics of two addition type polynorbornenes, exo-PNBSiand PTCNSi1, bearing microporosity has been investigated by broadbanddielectric spectroscopy, fast scanning calorimetry, and neutron scattering. Bothpolymers have the same side groups but different backbones. Due to theirfavorable transport properties, these polymers have potential applications inseparation membranes for gases. It is established in literature that molecularfluctuations are important for the diffusion of small molecules through poly-mers. For exo-PNBSi, two dielectric processes are observed, which are assignedto Maxwell/Wagner/Sillars (MWS) process due to blocking of charge carriersat internal voids or pore walls. For PTCNSi1, one MWS-polarization process isfound. This points to a bimodal pore-size distribution for exo-PNBSi. A glasstransition for exo-PNBSi and for PTCNSi1 could be evidenced for the first timeusing fast scanning calorimetry. For Tgand the corresponding apparent activa-tion energy, higher values were found for PTCNSi1 compared to exo-PNBSi.For both polymers, the neutron scattering data reveal one relaxation process.This process is mainly assigned to methyl group rotation probably overlayedby carbon–carbon torsional fluctuations.</abstract>
    <parentTitle language="eng">Polymer Engineering and Science</parentTitle>
    <identifier type="doi">10.1002/pen.25995</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-547086</identifier>
    <identifier type="issn">0032-3888</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">08.06.2022</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Mohamed Aejaz Kolmangadi</author>
    <author>Paulina Szymoniak</author>
    <author>R. Zorn</author>
    <author>Martin Böhning</author>
    <author>M. Wolff</author>
    <author>M. Zamponi</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Advanced calorimetry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dielectric spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Neutron scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polynorbornenes</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/54708/Polymer Engineering   Sci _2022_Greg.pdf</file>
  </doc>
  <doc>
    <id>54565</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>31</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>bookpart</type>
    <publisherName>Springer</publisherName>
    <publisherPlace>Cham, Switzerland</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">(Nano)Composite Materials—An Introduction</title>
    <abstract language="eng">The chapter gives a brief introduction to (nano)compositecomposite materials having the focus on polymer-based nanocomposites. The different dimensionalities of nanoparticles are introduced, along with their distribution in the matrix.&#13;
Different application fields of polymer-based nanocomposites, like flame retardancy, filled rubbers, nanofilled thermosets and thermoplastics, separation membranes and nanodielectrics, are considered in greater detail.</abstract>
    <parentTitle language="eng">Dynamics of Coposite Materials</parentTitle>
    <identifier type="doi">10.1007/978-3-030-89723-9_1</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Andreas Schönhals</author>
    <author>Martin Böhning</author>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer-based nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticle</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Distribution of nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Filled rubbers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Filled thermosets and plastics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Separation membranes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanodielectrics</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>57972</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>ACS</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Low-Frequency Vibrational Density of State of Janus-Polynorbornenes: The Dependence of the Boson Peak on the Nanophase-Separated Structure</title>
    <abstract language="eng">Inelastic incoherent neutron time-of-flight scattering was employed to investigate the low-frequency vibrational density of states (VDOSs) for a series of glassy Janus-poly(tricyclononenes), which consist of a rigid main chain and flexible alkyl side chains. Here, the length of the flexible side chains was systematically varied from propyl to octyl. Such materials have potential applications as active separation layers in gas separation membranes as a green future technology, especially for the separation of higher hydrocarbons. From the morphological point of view, the Janus polynorbornenes undergo a nanophase separation into alkyl side chain-rich nanodomains surrounded by a rigid polynorbornene matrix. Here, the influence of the nanophase-separated structure on the low-frequency VDOS is investigated from a fundamental point of view. The low-frequency VDOSs of these Janus polynorbornene show excess contributions to the Debye type VDOS known as the Boson peak (BP) for all side chain lengths. Due to the high incoherent scattering cross-section of hydrogen, most of the scattering comes from the alkyl side chain-rich domains.&#13;
Compared to conventional glass-forming materials, in the considered Janus polynorbornenes, the BP has a much lower intensity and its frequency position is shifted to higher values. These experimental results are discussed in terms of the nanophase-separated structure where the alkyl chain-rich domains were constrained by the surrounding matrix dominated by the rigid backbone. With increasing alkyl chain length, the size of the alkyl chain-rich domains increases. The frequency position of the BP shifts linearly to lower frequencies with the size of these nanodomains estimated from X-ray measurements. The obtained results support the sound wave interpretation to the BP</abstract>
    <parentTitle language="eng">Macromolecules</parentTitle>
    <identifier type="doi">10.1021/acs.macromol.3c00913</identifier>
    <identifier type="issn">0024-9297</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">07.08.2023</enrichment>
    <author>Paulina Szymoniak</author>
    <author>Mohamed A. Kolmangadi</author>
    <author>Fanni Juranyi</author>
    <author>Martin Böhning</author>
    <author>Reiner Zorn</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Inelastic neutron scattering</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>59036</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Inelastic and quasielastic neutron scattering experiments on microporous membranes fro green separation processes</title>
    <abstract language="eng">Polymers with intrinsic microporosity are promising candidates for the active separation layer in gas separation membranes. These polymers are characterized by a high permeability and reasonable permselectivity. The latter point is somehow surprising because for microporous systems a more Knudson-like diffusion is expected then a size dependent temperature activated sieving process. It was argued in the framework of a random gate model that molecular fluctuations on a time scale from ps to ns are responsible for the permselectivity.&#13;
Here series of polymers of intrinsic microporosity (PIMs) as well as microporous polynorbornenes with bulky Si side groups and a rigid backbone are considered. The polymers have different microporosity characterized by high BET surface area values.&#13;
First inelastic time-of-flight neutron scattering measurements were carried out to investigate the low frequency density of state (VDOS). The measured data show the characteristic low frequency excess contribution to the VDOS above the Debye sound wave level, generally known as the Boson peak in glass-forming materials. It was found that the frequency of  the maximum position of the Boson peak correlates with the BET surface area value.&#13;
Secondly elastic scans as well as quasielastic neutron scattering measurements by a combination of neutron time-of-flight and backscattering have been out. A low temperature relaxation process was found for both polymers. This process was assigned to the methyl group rotation. It was analysed in terms of a jump diffusion in a three-fold potential. The analysis of the dependence of the elastic incoherent structure factor on the scattering vector yields the number of methyl groups which might be immobilized.&#13;
The neutron scattering experiments were accompanied by fast scanning calorimetry and broadband dielectric investigations as well as atomistic molecular dynamic simulations.</abstract>
    <enrichment key="eventName">Kolloquiumsvortrag an der Technischen Universität München</enrichment>
    <enrichment key="eventPlace">Garching, Germany</enrichment>
    <enrichment key="eventStart">20.11.2023</enrichment>
    <enrichment key="eventEnd">20.11.2023</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Paulina Szymoniak</author>
    <author>Martin Böhning</author>
    <author>Reiner Zorn</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymers with intrinsic microporosity</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>52666</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1634</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>13</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Calorimetric and Dielectric Investigations of Epoxy-Based Nanocomposites with Halloysite Nanotubes as Nanofillers</title>
    <abstract language="eng">Epoxy nanocomposites are promising materials for industrial applications (i.e., aerospace, marine and automotive industry) due to their extraordinary mechanical and thermal properties. Here, the effect of hollow halloysite nanotubes (HNT) on an epoxy matrix (Ep) was the focus of the study. The structure and molecular mobility of the nanocomposites were investigated using a combination of X-ray scattering, calorimetry (differential (DSC) and fast scanning calorimetry (FSC)) and dielectric spectroscopy. Additionally, the effect of surface modification of HNT (polydopamine (PDA) and Fe(OH)3 nanodots) was considered. For Ep/HNT, the glass transition temperature (Tg) is was de-creased due to a nanoparticle-related decrease of the crosslinking density. For the modified system, Ep/m-HNT, the surface modification resulted in enhanced filler–matrix interactions leading to higher Tg values than the pure epoxy in some cases. For Ep/m-HNT, the amount of interface formed between the nanoparticles and the matrix ranged from 5% to 15%. Through BDS measurements, localized fluctuations were detected as a β- and γ-relaxation, related to rotational fluctuations of phenyl rings and local reorientations of unreacted components. A combination of calorimetry and BDS dielectric spectroscopy revealed a dynamic and structural heterogeneity of the matrix, as confirmed by two glassy dynamics in both systems, related to regions with different crosslinking densities.</abstract>
    <parentTitle language="eng">Polymers</parentTitle>
    <identifier type="doi">10.3390/polym13101634</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-526668</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">03.06.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Hassan Omar</author>
    <author>Glen Jacob Smales</author>
    <author>S. Henning</author>
    <author>Z. Li</author>
    <author>D.-Y. Wang</author>
    <author>Andreas Schönhals</author>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rigid amorphous fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Epoxy nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Halloysite nanotubes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Differential scanning calorimetry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Broadband dielectric spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Flash DSC</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/52666/polymers-13-01634.pdf</file>
  </doc>
  <doc>
    <id>63965</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>17</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular mobility and electrical conductivity of amino acid-based (DOPA) ionic liquid crystals in the bulk state and nanoconfinement</title>
    <abstract language="eng">This study explores the molecular mobility, phase behavior, and electrical conductivity of dihydroxyphenylalanine-based ionic liquid crystals (DOPAn, with alkyl side chains n = 12, 14, 16) featuring cyclic guanidiniumchloride headgroups, in both bulk and nanoconfined states. Using broadband dielectric spectroscopy, differential scanning calorimetry, and fast scanning calorimetry, the research uncovers a complex interplay between molecular structure, self-assembly, and molecular mobility. In bulk, DOPAn shows a phase sequence from plastic crystalline to hexagonal columnar and isotropic phases, driven by superdisc formation and columnar organization. Multiple relaxation processes are identified: localized side-chain dynamics (γ-relaxation), ionic headgroup or core motions (α1-relaxation), and cooperative alkyl domain fluctuations (α2-relaxation). Conductivity decreases with increasing side chain length. Under nanoconfinement in anodic aluminum oxide membranes, phase behavior changes: the Colh–Iso transition is suppressed, and a new α3-relaxation appears, linked to dynamics in an adsorbed interfacial layer. DC conductivity drops by up to four orders of magnitude due to confinement effects, altered molecular orientation, and phase transitions—especially the emergence of a nematic-like state in DOPA16. These findings highlight the importance of molecular design, pore geometry, and surface chemistry in tuning ionic liquid crystal properties for advanced applications in nanofluidics, ion transport, and responsive materials.</abstract>
    <parentTitle language="eng">Physcal Chemistry Chemical Physics</parentTitle>
    <identifier type="doi">10.1039/d5cp02406d</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-639657</identifier>
    <identifier type="issn">1463-9084</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">08.09.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Mohamed A. Kolmangadi</author>
    <author>A. R. Raab</author>
    <author>Paulina Szymoniak</author>
    <author>Z. Li</author>
    <author>P. Huber</author>
    <author>S. Laschat</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ionic Liquid Crystals</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/63965/D5CP02406D.pdf</file>
  </doc>
  <doc>
    <id>63859</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Bio-Based Vitrimers: Cracking the Code of Recyclability, Exchange Reactions and Flame Retardancy</title>
    <abstract language="eng">Vitrimers are a promising class of sustainable materials that offer an alternative to traditional epoxy thermosets in line with circular economy principles. Built on covalent adaptive networks (CANs), they can rearrange their chemical bonds in response to external stimuli, giving them properties like recyclability, shape-memory, and self-healing. These materials combine the strength of thermosets with the reprocessability of thermoplastics, making them attractive for next-generation applications.&#13;
&#13;
This study focuses on a bio-based vitrimer made from glycerol triglycidyl ether (GTE) and a vanillin-derived imine hardener (VA), which reacts through catalyst-free imine metathesis. To better understand the recyclability mechanisms of such systems, especially the dynamic bond exchange, we apply a comprehensive suite of techniques including dielectric spectroscopy, neutron scattering, mechanical analysis, and calorimetry. By linking molecular dynamics with macroscopic performance, the work aims to support the development of vitrimers as practical, recyclable materials.</abstract>
    <enrichment key="eventName">EPF2025 - European Polymer Congress</enrichment>
    <enrichment key="eventPlace">Groningen, The Netherlands</enrichment>
    <enrichment key="eventStart">22.06.2025</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer recycling</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>63858</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Nanoscale Confinement Effects in Thin Films of Rigid-Backbone Polymers</title>
    <abstract language="eng">Thin polymer films play a crucial role in modern technologies, with applications spanning flexible electronics, membranes, coatings, and nanodevices. Their reduced dimensions result in unique physical behavior, often deviating significantly from bulk properties due to confinement and interfacial effects. In this study, we investigate how nanoscale confinement and polymer–substrate interactions influence the structural and dynamic properties of supported thin films of two rigid-backbone polymers: poly(bisphenol A carbonate) (PBAC) and polysulfone (PSU). Emphasis was placed on the development of adsorbed interfacial layers, molecular mobility, and the glass transition behavior as functions of film thickness and thermal history. Using a multimodal experimental approach—including Atomic Force Microscopy (AFM), Broadband Dielectric Spectroscopy (BDS), Differential and Fast Scanning Calorimetry (DSC, FSC), and Ellipsometry—we characterized adsorption kinetics, desorption processes, and segmental dynamics across a wide range of thicknesses and annealing conditions. Special attention was given to the formation and growth regimes of the adsorbed polymer layers, including a newly observed pre-growth stage, and their effect on thermal and dielectric relaxation behavior. To probe dynamics in ultrathin films, two dielectric electrode configurations—crossed electrode capacitors and nanostructured electrodes—were employed, enabling measurements down to 10 nm and isolated adsorbed layer. This comprehensive analysis provides insight into how one-dimensional confinement and interfacial interactions modulate macromolecular behavior, which is critical for the design of functional nanostructured polymeric systems in advanced applications.</abstract>
    <enrichment key="eventName">10th International Discussion Meeting on Relaxations in Complex Systems (10thIDMRCS)</enrichment>
    <enrichment key="eventPlace">Barcelona, Spanien</enrichment>
    <enrichment key="eventStart">20.06.2025</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Paulina Szymoniak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thin films</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>59677</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Structure and molecular mobility of phosphinine-based covalent organic frameworks – glass transition of amorphous COFs</title>
    <abstract language="eng">Two-dimensional covalent organic frameworks (COFs) based on phosphinine and thiophene building blocks have been synthesized with two different side groups. The materials are denoted as CPSF-MeO and CPSF-EtO where CxxF correspond to the covalent framework, whereas P and S are related to heteroatoms phosphorous and sulfur. MeO and EtO indicate the substituents, i.e. methoxy and ethoxy. &#13;
Their morphologies were studied by scanning electron microcopy and X-ray scattering. The absence of crystalline reflexes in the X-ray pattern reveal that both materials are amorphous and can be considered as glasses. Furthermore, N2 adsorption measurements indicate substantial Brunauer–Emmett–Teller (BET) surface area values pointing to the formation of three-dimensional pores by stacking of the aromatic 2D layer. An analysis of the porosity of both COFs showed a mean radius of the pores to be of ca. 4 nm, consistent with their chemical structure. The COFs form nanoparticles with a radius of around 100 nm. The thermal behavior of the COFs was further investigated by fast scanning calorimetry. These investigations showed that both COFs undergo a glass transition. The glass transition temperature of CPSF-EtO is found to be ca. 100 K higher than that for CPSF-MeO. This large difference in the glass transition is discussed to be due to a change in the interaction of the COF sheets induced by the longer ethoxy group. It might be assumed that for CPSF-EtO more individual COF sheets assemble to larger stacks than for CPSF-MeO. This agrees with the much larger surface area value found for CPSF-EtO compared to CPSF-MeO. To corroborate the results obtained be fast scanning calorimetry dielectric measurements were conducted which confirm the occurrence of a dynamic glass transition. The estimated temperature dependence of the relaxation rates of the dielectric relaxation and their absolute values agrees well with the data obtained by fast scanning calorimetry. Considering the fragility approach to the glass transition, it was further found that CPSF-MeO is a fragile glass former whereas CPSF-EtO behaves as a strong glass forming material. This difference in the fragility points also to distinct differences in the interaction between the 2D COF molecules in both materials.</abstract>
    <parentTitle language="eng">Materials Advances</parentTitle>
    <identifier type="doi">10.1039/d3ma01123b</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-596770</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">18.03.2024</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Farnaz Emamverdi</author>
    <author>J. Huang</author>
    <author>Paulina Szymoniak</author>
    <author>M. J. Bojdys</author>
    <author>Martin Böhning</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Covalent Organic frameworks</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/59677/D3MA01123B.pdf</file>
  </doc>
  <doc>
    <id>51196</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>7410</pageFirst>
    <pageLast>7419</pageLast>
    <pageNumber/>
    <edition/>
    <issue>17</issue>
    <volume>53</volume>
    <type>article</type>
    <publisherName>ACS</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular Dynamics of Janus Polynorbornenes: Glass Transitions and Nanophase Separation</title>
    <abstract language="eng">For the first time, dielectric and calorimetric investigations of an homologous series of Janus polynorbornenes with rigid main backbones and flexible -Si(OR)3 side groups, of differing length alkyl chains (R = Propyl, Butyl, Hexyl, Octyl, Decyl) is reported. Generally, this class of polymers has some potential for applications in the field of gas separation membranes. Two dielectrically active processes are observed at low temperatures, denoted as β- and α- relaxation. The former can be assigned to localized fluctuations, whilst the latter is related to the glassy dynamics of the flexible -Si(OR)3 side groups, creating a nanophase separation in both the alkyl chain rich and backbone rich domains. This is confirmed through temperature modulated DSC measurements and X-ray scattering experiments. The glass transition temperatures of the backbone rich domains, which are beyond or near to their degradation temperatures in terms of conventional DSC, are determined for the first time using Fast Scanning Calorimetry employing both fast heating and cooling rates. This is complimented with scattering experiments that show how the size of the alkyl chain rich domains increases with chain length. Alongside these results, a significant conductivity contribution was observed for all poly(tricyclononenes) with -Si(OR)3 side groups, which is interpreted in terms of a percolation model.</abstract>
    <parentTitle language="eng">Macromolecules</parentTitle>
    <identifier type="doi">10.1021/acs.macromol.0c01450</identifier>
    <enrichment key="Audience">12.10.2020</enrichment>
    <enrichment key="date_peer_review">12.10.2020</enrichment>
    <author>Mohamed Aejaz Kolmangadi</author>
    <author>Paulina Szymoniak</author>
    <author>Glen Jacob Smales</author>
    <author>D. Alentiev</author>
    <author>M. Bermeshev</author>
    <author>Martin Böhning</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polynorbornenes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Broadband Dielectric Spectrscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Advanced calorimetry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>53508</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>642</volume>
    <type>article</type>
    <publisherName>Elesevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Microscopic dynamics of highly permeable super glassy polynorbornenes revealed by quasielastic neutron scattering</title>
    <abstract language="eng">The molecular dynamics of addition-type poly(tricyclononenes) with Si-substituted bulky side groups has been investigated by a combination of neutron time-of-flight and neutron backscattering spectroscopy methods on a time scale from 0.1 ps to ca. 3 ns. The investigated poly(tricyclononenes) PTCNSi1 and PTCNSi2g both bear a high microporosity which makes them promising candidates for active separation layers for gas separation membranes. At least for larger gas molecules it is assumed that the pathways for diffusion require an enlargement of pre-existing micropores in terms of an activated zone. A low temperature relaxation process was found for both polymers by the performed neutron scattering experiments. This process was assigned to the methyl group rotation. It was analysed in terms of a jump diffusion in a three-fold potential. The analysis of the dependence of the elastic incoherent structure factor on the scattering vector yields the number of methyl groups which might be immobilized. For PTCNSi1 (3 methyl groups in the monomeric unit) it was found that all methyl groups take part in the methyl group rotation whereas for PTCNSi2g (6 methyl groups in monomeric unit) a considerable number of methyl groups are blocked in their rotation. This immobilization of methyl groups is due to the sterically demanding arrangement of the methyl groups in PTCNSi2g. This conclusion is further supported by the result that the activation energy for the methyl group rotation is three times higher for PTCNSi2g than that of PTCNSi1.</abstract>
    <parentTitle language="eng">Journal of Membrane Science</parentTitle>
    <identifier type="doi">10.1016/j.memsci.2021.119972</identifier>
    <identifier type="issn">0376-7388</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">17.11.2021</enrichment>
    <author>Andreas Schönhals</author>
    <author>Paulina Szymoniak</author>
    <author>Mohamed Aejaz Kolmangadi</author>
    <author>Martin Böhning</author>
    <author>M. Zamponi</author>
    <author>B. Frick</author>
    <author>M. Appel</author>
    <author>G. Günther</author>
    <author>M. Russina</author>
    <author>D. Alentiev</author>
    <author>M. Bermeshev</author>
    <author>R. Zorn</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Highly permeably polynorbornenes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymers of intrinsic microporosity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gas separation membranes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quasielastic neutron scattering</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Wasserstoff</collection>
  </doc>
  <doc>
    <id>54303</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>9</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>8</volume>
    <type>article</type>
    <publisherName>Membrane Processes Research Laboratory (MPRL)</publisherName>
    <publisherPlace>Tehran</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular mobility of polynorbornenes with trimethylsiloxysilyl side groups: Influence of the polymerization mechanism</title>
    <abstract language="eng">We report dielectric and calorimetric studies on metathesis and addition-type polytricyclononenes, both based on the same monomer bearing three pendant OSiMe3 groups. For the addition-type polymer, dielectric spectroscopy reveals a β*-process related to the microporosity, whereas for its metathesis counterpart, the segmental dynamics manifests as an α-process related to a glass transition. Besides active dielectric processes, a significant conductivity contribution is detected for both samples which for the microporous additiontype polymer is three orders of magnitude greater than for the metathesis polymer. The broadband dielectric spectroscopy is complemented by detailed calorimetric investigations, comprising DSC, FSC, and TMDSC. The calorimetric methods detected the glass transition for the metathesis polymer in agreement with the observed dielectric α-process. Furthermore, the already reported gas transport properties for both polymers are compared, setting them in correlation with the observed molecular mobility and conductivity behavior. The discussed results reflect significant differences in molecular mobility of the two polymers affecting the appearance of microporosity which strongly determines the gas transport properties.</abstract>
    <parentTitle language="eng">Journal of membrane science and research</parentTitle>
    <identifier type="issn">2476-5406</identifier>
    <identifier type="doi">10.22079/JMSR.2021.538060.1495</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Mohamed Aejaz Kolmangadi</author>
    <author>Paulina Szymoniak</author>
    <author>Glen Jacob Smales</author>
    <author>M. Bermeshev</author>
    <author>Andreas Schönhals</author>
    <author>Martin Böhning</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microporous polymers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Molecular mobility</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electrical conductivity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Membrane polymers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gas separation</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51165</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>18381</pageFirst>
    <pageLast>18387</pageLast>
    <pageNumber/>
    <edition/>
    <issue>33</issue>
    <volume>22</volume>
    <type>article</type>
    <publisherName>Royal Chemical Society</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Low frequency vibrational density of state of highly permeable super glassy polynorbornenes – The Boson peak</title>
    <abstract language="eng">Inelastic incoherent neutron time-of flight scattering was employed to measure the low frequency density of states for a series of addition polynorbornenes with bulky side groups. The rigid main chain in combination with the bulky side groups give rise to a microporosity of these polymers in the solid state. The microporosity characterized by the BET surfaces area varies systematically in the considered series. Such materials have some possible application as active separation layer in gas separation membranes.&#13;
All investigated materials show excess contributions to the Debye type density of states characteristic for glasses known as Boson peak. The maximum position of the Boson peak shifts to lower frequency values with increasing microporosity. Data for PIM-1 and Matrimid included for comparison are in good agreement to this dependency. This result supports the sound wave interpretation of the Boson peak.</abstract>
    <parentTitle language="eng">Physical Chemistry Chemical Physics</parentTitle>
    <identifier type="doi">10.1039/d0cp03360j</identifier>
    <identifier type="issn">1463-9076</identifier>
    <enrichment key="date_peer_review">09.09.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>R. Zorn</author>
    <author>Paulina Szymoniak</author>
    <author>Mohamed Aejaz Kolmangadi</author>
    <author>M. Wolf</author>
    <author>D. Alentiev</author>
    <author>M. Bermeshev</author>
    <author>Martin Böhning</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polynorbornes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Neutron Scattering</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.5 Technische Eigenschaften von Polymerwerkstoffen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
</export-example>
