55037
2022
eng
poster
0
--
--
--
Compact NMR Spectroscopy in the field: A Versatile Tool for Automated Continuous-Flow Production
Chemical companies must find new paths to successfully survive in a changing environment. The potential of digital technologies belongs to these. Flexible and modular chemical plants can produce various high-quality products using multi-purpose equipment with short downtimes between campaigns and reduce time to market for new products. Intensified continuous production plants allow for difficult to produce compounds.
Therefore, fully automated “chemical” process control along with real-time quality control are prerequisites to such concepts and thus should be based on “chemical” information. A commercially available benchtop NMR spectrometer was integrated to the full requirements of an automated chemical production environment such as, e.g., explosion safety, field communication, and robust evaluation of sensor data. It was thereof used for direct loop advanced process control and real-time optimization of the process. Field studies in modular and conventional production plant setups show promising results gaining process knowledge for further optimization. NMR appeared as preeminent online analytical method and allow using a modular data analysis tool, which even served as reliable reference method for further PAT applications (e.g. NIR spectroscopy). In the future, such fully integrated and intelligently interconnecting “smart” systems and processes can speed up the high-quality production of specialty chemicals and pharmaceuticals.
DECHEMA Workshop "Sensorik für die Digitalisierung chemischer Produktionsanlagen"
Frankfurt am Main, Germany
13.06.2022
13.06.2022
publish
false
true
Klas Meyer
eng
uncontrolled
Compact NMR
eng
uncontrolled
Process Control
eng
uncontrolled
Modular Production
eng
uncontrolled
Process Analytical Technology
Analytische Chemie
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Datei im Netzwerk der BAM verfügbar ("Closed Access")
Präsentation
56089
2022
eng
lecture
0
--
--
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Modular process control with compact NMR spectroscopy – From Field Integration to Automated Data Analysis
Chemical and pharmaceutical companies have to find new paths to survive successfully in a changing environment, while also finding more flexible ways of product and process development to bring their products to market more quickly – especially high-quality high-end products like fine chemicals or pharmaceuticals. A current approach uses flexible and modular chemical production units, which can produce different high-quality products using multi-purpose equipment with short downtimes between campaigns and reduce the time to market of new products.
NMR spectroscopy appeared as excellent online analytical tool and allowed a modular data analysis approach, which even served as reliable reference method for further Process Analytical Technology (PAT) applications. Using the available datasets, a second data analysis approach based on artificial neural networks (ANN) was evaluated. Therefore, amount of data was augmented to be sufficient for training. The results show comparable performance, while improving the calculation time tremendously. In future, such fully integrated and interconnecting “smart” systems and processes can increase the efficiency of the production of specialty chemicals and pharmaceuticals.
At the end of the article, ideas for solutions are discussed in order to speed up the implementation of new special products from the point of view of process analytics and to network the existing process chains more closely.
PATriCK 2022 – Merck conference on PAT technology
Darmstadt, Germany
19.10.2022
19.10.2022
publish
false
true
0
Michael Maiwald
eng
uncontrolled
Process Analytical Technology
eng
uncontrolled
Digitalisation
eng
uncontrolled
Process Industry
eng
uncontrolled
Online NMR Spectroscopy
eng
uncontrolled
Modular Production
Analytische Chemie
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
Umwelt
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Datei im Netzwerk der BAM verfügbar ("Closed Access")
Präsentation
Sensorik
56090
2022
eng
poster
0
--
--
--
Compact NMR Spectroscopy in the field: A Versatile PAT Tool for Production of Specialty Chemicals
Companies of chemical industry find themselves more often in a rapidly changing environment, e.g., due to variability of raw material quality or energy costs and efficiency. Process optimization and new process concepts become more and more important. For example, flexible and modular chemical plants can produce various high-quality products using multi-purpose equipment with short downtimes between campaigns and reduce time to market for new products. Intensified continuous production plants allow for difficult to produce compounds like exothermic reactions with high heat dissipation.
Therefore, fully automated “chemical” process control along with real-time quality control are prerequisites to such concepts and thus should be based on “chemical” information. A commercially available benchtop NMR spectrometer was integrated to the full requirements of an automated chemical production environment such as explosion safety, field communication, and robust evaluation of sensor data. Field studies in modular and conventional production plant setups show promising results gaining process knowledge for further optimization. NMR appeared as preeminent online analytical method and allow using a modular data analysis approach, which can even serve as reliable reference method for further calibration-dependent PAT applications (e.g., NIR spectroscopy). Based on experiences from these field studies an improved analyzer enclosure setup was developed and built, including the option of a secondary method besides NMR spectroscopy. Integrated control systems allow for a flexible implementation based on the available automation infrastructure at the chemical plant or pilot plant setup. In the future, fully integrated and intelligently interconnecting “smart” PAT systems and processes have the potential speed up the setup of production equipment for chemicals and pharmaceuticals and therefore help to reduce the time-to-market.
Practical Applications of NMR in Industry Conference (PANIC) 2022
La Jolla, CA, USA
16.10.2022
19.10.2022
publish
false
true
Klas Meyer
eng
uncontrolled
Process Analytical Technology
eng
uncontrolled
Benchtop NMR
eng
uncontrolled
Modular production
Analytische Chemie
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Datei im Netzwerk der BAM verfügbar ("Closed Access")
Präsentation
56226
2022
deu
lecture
0
--
--
--
Integrierte und vernetzte Systeme und Prozesse – Eine Perspektive für die smarte Laborinfrastruktur
Chemie- und Pharmaunternehmen müssen neue Wege gehen, um in einem sich wandelnden Umfeld erfolgreich zu überleben, und gleichzeitig flexiblere Wege der Produkt- und Prozessentwicklung finden, um ihre Produkte schneller auf den Markt zu bringen - vor allem hochwertige High-End-Produkte wie Feinchemikalien oder Arzneimittel. Dazu gehört auch das Potenzial der digitalen Technologien, um ein umfassenderes Wissensmanagement zu ermöglichen.
Eine wichtige Wissensquelle sind analytische Labors, die Unternehmensweit aktiv sind – von F&E bis zur Produktion. Die ganzheitliche Einbindung von analytischen Labors und ein unternehmensweites Daten- und Wissensmanagement sind wichtige Bausteine zur Integration und Vernetzung aller Systeme und Prozesse. Das Potenzial von Daten aus der Produktion mit ihren Kontextinformationen wird heute oft noch nicht konsequent für ein umfassendes Verständnis der Produktion genutzt.
Dieser Beitrag skizziert anhand von Beispielen einen möglichen ganzheitlicheren Ansatz zur Digitalisierung und zum Einsatz maschineller Verfahren in der Produktion von Spezialchemikalien und Pharmazeutika durch die Einführung integrierter und vernetzter Systeme und Prozesse.
6. Analytik-Tag des Institut für Energie- und Umwelttechnik e.V. (IUTA)
Duisburg, Germany
10.11.2022
10.11.2022
publish
false
true
0
Michael Maiwald
deu
uncontrolled
Prozessindustrie
deu
uncontrolled
Online-NMR-Spektroskopie
deu
uncontrolled
Prozessanalytik
deu
uncontrolled
Digitalisierung
deu
uncontrolled
Datenauswertung
deu
uncontrolled
IUTA
Analytische Chemie
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
Umwelt
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Datei im Netzwerk der BAM verfügbar ("Closed Access")
Präsentation
Sensorik
55974
2022
eng
lecture
0
--
--
--
Modular production involving benchtop NMR Current Application Examples Driven by Digitalization
The demand for increasing product diversity in the chemical and pharmaceutical industry calls for new production processes that enable greater flexibility. Therefore, plants are needed which can be adapted to new processes in a fast manner and be scaled up and down easily to volatile market demands. Modular production techniques in combination with advanced process analytical technology (PAT) are considered as a promising solution able to fulfil these requirements.
The success and acceptance of modular concepts in both new and existing plants is dependent of its reliability, easy applicability, and standardization. In recent past, enormous efforts were made to overcome existing barriers in a superordinate level, e.g. DEXPI, ENPRO, or MTP naming just a few. Here, we’d like to present a few, more hands-on, application examples which are shown in Figure 1 aiming to increase process flexibility and applicability.
Achema 2022
Frankfurt a.M., Germany
22.08.2022
26.08.2022
publish
false
true
0
Martin Bornemann-Pfeiffer
eng
uncontrolled
Process analytical technology
eng
uncontrolled
NMR spectroscopy
eng
uncontrolled
Digitization
Analytische Chemie
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Datei im Netzwerk der BAM verfügbar ("Closed Access")
Präsentation
54840
2022
eng
4281
4289
Topical collection: Analytical methods and applications in the materials and life sciences
414
article
Springer
Berlin
1
--
--
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Trends in selected fields of reference material production
For more than 110 years, BAM has been producing reference materials for a wide range of application fields. With the development of new analytical methods and new applications as well as continuously emerging more stringent requirements of laboratory accreditation with regard to quality control and metrological traceability, the demand and requirements for reference materials are increasing. This trend article gives an overview of general developments in the field of reference materials as well as developments in selected fields of application in which BAM is active. This includes inorganic and metal analysis, gas analysis, food and consumer products, and geological samples. In addition to these more traditional fields of application, developments in the areas of optical spectroscopy, particulary fluorescence methods, and nanomaterials are considered.
Analytical and bioanalytical chemistry
10.1007/s00216-022-03996-7
urn:nbn:de:kobv:b43-548407
1618-2642
1618-2650
publish
16.05.2022
https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/55670
150 years BAM: Science with impact
Berlin, Germany
01.01.2021
31.12.2021
Creative Commons - CC BY - Namensnennung 4.0 International
Sebastian Recknagel
Harald Bresch
Heinrich Kipphardt
Ute Resch-Genger
Matthias Koch
M. Rosner
eng
uncontrolled
Reference material
eng
uncontrolled
ISO REMCO
eng
uncontrolled
Gas analysis
eng
uncontrolled
Food
eng
uncontrolled
Nanomaterials
eng
uncontrolled
Fluorescence
Analytische Chemie
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
1.6 Anorganische Referenzmaterialien
1.7 Organische Spuren- und Lebensmittelanalytik
1.2 Biophotonik
4 Material und Umwelt
4.2 Material-Mikrobiom Wechselwirkungen
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Verlagsliteratur
Datei für die Öffentlichkeit verfügbar ("Open Access")
Wissenschaftliche Artikel der BAM
Bundesanstalt für Materialforschung und -prüfung (BAM)
https://opus4.kobv.de/opus4-bam/files/54840/Article_TrendsInSelectedFieldsOfRefere.pdf
56391
2022
deu
lecture
0
--
--
--
Integrierte und vernetzte Systeme und Prozesse – Prozessnahe Sensorik für die digital transformierte Prozessindustrie
Unternehmen der Prozessindustrie müssen neue Wege finden, um in einem sich wandelnden Umfeld erfolgreich zu überleben, und gleichzeitig flexiblere Wege der Produkt- und Prozessentwicklung finden, um ihre Produkte schneller auf den Markt zu bringen – insbesondere hochwertige, hochwertige Produkte wie Feinchemikalien oder Arzneimittel. Dies wird zukünftig durch Veränderungen in den Wertschöpfungsketten entlang einer potenziellen Kreislaufwirtschaft erschwert.
Anhand von Beispielen wird in diesem Vortrag ein möglicher ganzheitlicher Ansatz zur Digitalisierung und zum Einsatz maschineller Verfahren in der Produktion von Spezialchemikalien durch die Einführung integrierter und vernetzter Systeme und Prozesse skizziert.
Es wird auch auf die aktuelle Technologie-Roadmap „Prozess-Sensoren 2027+“ eingegangen, die Ende 2021 erschienen ist. Im Zentrum dieser Roadmaps stehen Sensoren zur Erfassung von physikalischen und chemischen Messgrößen mittels spezifischer und unspezifischer Messverfahren, die zur Steuerung und dem besseren Verständnis von Prozessen dienen. Die Roadmap fasst die gemeinsame Technologie- und Marktsicht von Anwendern, Herstellern und Forschungs¬einrichtungen im Bereich Prozess-Sensorik in der verfahrenstechnischen Industrie zusammen. Digitalisierung und Nachhaltigkeit sind übergreifende Kernthemen der künftigen Entwicklung.
11. Fachtagung Prozessnahe Röntgenanalytik PRORA
Berlin, Germany
24.11.2022
25.11.2022
publish
false
true
0
Michael Maiwald
deu
uncontrolled
Digital Transformatioin
deu
uncontrolled
Prozessindustrie
deu
uncontrolled
Sensorik
deu
uncontrolled
Prozessanalytik
deu
uncontrolled
Industrie 4.0
deu
uncontrolled
PRORA
Analytische Chemie
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
Umwelt
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Datei im Netzwerk der BAM verfügbar ("Closed Access")
Präsentation
Sensorik
56589
2022
eng
lecture
0
--
--
--
Real time mass spectrometry - From Unravelling Electrochemical Reaction Mechanism to Trace Analysis of Impurities in Hydrogen Gas
Climate change and related energy policies, exacerbated by unforeseen geopolitical developments, pose new challenges for gas analytics, such as the use of hydrogen, hydrogen-containing alternative gaseous fuels (NH3, etc.), the use of alternative methane-based energy gases (LNG, LPG, etc.) or decarbonisation via CCSU. In all topics, the quality, i.e. the actual chemical composition of the gases, naturally plays a decisive role. BAM is meeting this strategic importance with the further development of hydrogen analytics and is continuing to develop the methods used in order to support the German economy and research landscape with traceability, reference materials and analytical procedures as quickly as possible.
Mass spectrometry plays an important role for trace analysis in hydrogen matrix. The presentation shows first experimental results from the application of PTR-TOF-MS (Proton Transfer Reaction Time-of-Flight Mass Spectrometry).
11th International GAS Analysis Symosium & Exhibition
Paris, France
17.05.2022
20.05.2022
publish
0
Peyman Khanipour
eng
uncontrolled
Gas Analysis
eng
uncontrolled
Hydrogen
eng
uncontrolled
Metrology
eng
uncontrolled
Mass Spectrometry
eng
uncontrolled
Trace Analysis
Analytische Chemie
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Datei im Netzwerk der BAM verfügbar ("Closed Access")
Präsentation
54596
2022
eng
lecture
0
--
--
--
Sensors, Analytics and Certified Reference Materials safeguarding the quality infrastructure in the hydrogen economy
The prerequisites for a successful energy transition and the economic use of hydrogen as a clean green energy carrier and for H2 readiness are a rapid market ramp-up and the establishment of the required value chains. Reliable quality and safety standards for innovative technologies are the prerequisite for ensuring supply security, for environmental compatibility and sustainable climate protection, for building trust in these technologies and thus enable product and process innovations.
With the Competence Centre "H2Safety@BAM", BAM is creating the safety-related prere-quisites for the successful implementation of hydrogen technologies at national as well as European level. BAM uses decades of experience in dealing with hydrogen technologies to develop the necessary quality and safety standards.
The presentation will draw a bow from the typical basic tasks of BAM in the field of competence "Sensors, analytics and certified reference materials", such as maintenance and dissemination of the national gas composition standards for calorific value determination as Designated Institute for Metrology in Chemistry within the framework of the Metre Convention, to the further development of measurement and sensor technology for these tasks. For the certification of reference materials, a mostly slow and time-consuming but solid reference analysis is common. With hydrogen and its special properties, completely new requirements are added. In addition, fast and simple online analysis is required for process control, for example to register quality changes, e.g., during load changes or refuelling processes.
https://www.imeko-gh2fuels.ptb.de/
Indo-German International Conference on Metrology for the Deployment of Green Hydrogen and Renewable Fuels in India
Online meeting
04.04.2022
06.04.2022
publish
false
true
0
Michael Maiwald
eng
uncontrolled
Quality Infrastructure
eng
uncontrolled
Gas Reference Material
eng
uncontrolled
Hydrogen
eng
uncontrolled
Energy Gases
eng
uncontrolled
Sensors
eng
uncontrolled
Hydrogen Storage Materials
Analytische Chemie
Angewandte Physik
1 Analytische Chemie; Referenzmaterialien
1.4 Prozessanalytik
Energie
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Datei im Netzwerk der BAM verfügbar ("Closed Access")
Präsentation
Wasserstoff
54682
2022
eng
1
7
27
28
article
Wiley-VCH
Weinheim
1
--
--
--
Formation Mechanism of a Nano-Ring of Bismuth Cations and Mono-Lacunary Keggin-Type Phosphomolybdate
A new hetero-bimetallic polyoxometalate (POM) nano-ring was synthesized in a one-pot procedure. The structure consists of tetrameric units containing four bismuth-substituted monolacunary Keggin anions including distorted [BiO8] cubes. The nano-ring is formed via self-assembly from metal precursors in aqueous acidic medium. The compound (NH4)16[(BiPMo11O39)4] ⋅ 22 H2O; (P4Bi4Mo44) was characterized by single-crystal X-ray diffraction, extended X-ray absorption fine structure spectroscopy (EXAFS), Raman spectroscopy, matrix-assisted laser desorption/ionisation-time of flight mass spectrometry (MALDI-TOF), and thermogravimetry/differential scanning calorimetry mass spectrometry (TG-DSC-MS). The formation of the nano-ring in solution was studied by time-resolved in situ small- and wide-angle X-ray scattering (SAXS/WAXS) and in situ EXAFS measurements at the Mo−K and the Bi−L3 edge indicating a two-step process consisting of condensation of Mo-anions and formation of Bi−Mo-units followed by a rapid self-assembly to yield the final tetrameric ring structure.
Chemistry - A European Journal
10.1002/chem.202200079
0947-6539
urn:nbn:de:kobv:b43-546823
publish
25.04.022
Creative Commons - CC BY - Namensnennung 4.0 International
Ines Martins
Dominik Al-Sabbagh
U. Bentrup
Julien Marquardt
Thomas Schmid
E. Scoppola
Werner Kraus
Tomasz Stawski
Ana de Oliveira Guilherme Buzanich
Kirill Yusenko
Steffen Weidner
Franziska Emmerling
eng
uncontrolled
Bismuth
eng
uncontrolled
In situ EXAFS
eng
uncontrolled
In situ SAXS/WAXS
eng
uncontrolled
Lacunary Keggin ion
eng
uncontrolled
Polyoxometalates
eng
uncontrolled
Self-assembly
Analytische Chemie
Ingenieurwissenschaften und zugeordnete Tätigkeiten
1 Analytische Chemie; Referenzmaterialien
1.3 Instrumentelle Analytik
1.4 Prozessanalytik
6 Materialchemie
6.3 Strukturanalytik
Material
Chemie und Prozesstechnik
Chemische Charakterisierung und Spurenanalytik
Verlagsliteratur
Datei für die Öffentlichkeit verfügbar ("Open Access")
Wissenschaftliche Artikel der BAM
6.0 Abteilungsleitung und andere
Materialdesign
Bundesanstalt für Materialforschung und -prüfung (BAM)
https://opus4.kobv.de/opus4-bam/files/54682/Chemistry A European J - 2022.pdf
https://opus4.kobv.de/opus4-bam/files/54682/Chemistry A European.pdf