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    <title language="eng">Evidence for liquid-liquid phase separation during the early stages of Mg-struvite formation</title>
    <abstract language="eng">The precipitation of struvite, a magnesium ammonium phosphate hexahydrate (MgNH₄PO₄ · 6H₂O) mineral, from wastewater is a promising method for recovering phosphorous. While this process is commonly used in engineered environments, our understanding of the underlying mechanisms responsible for the formation of struvite crystals remains limited. Specifically, indirect evidence suggests the involvement of an amorphous precursor and the occurrence of multi-step processes in struvite formation, which would indicate non-classical paths of nucleation and crystallization. In this study, we use synchrotron-based in situ x-ray scattering complemented by cryogenic transmission electron microscopy to obtain new insights from the earliest stages of struvite formation. The holistic scattering data captured the structure of an entire assembly in a time-resolved manner. The structural features comprise the aqueous medium, the growing struvite crystals, and any potential heterogeneities or complex entities. By analysing the scattering data, we found that the onset of crystallization causes a perturbation in the structure of the surrounding aqueous medium. This perturbation is characterized by the occurrence and evolution of Ornstein-Zernike fluctuations on a scale of about 1 nm, suggesting a non-classical nature of the system. We interpret this phenomenon as a liquid-liquid phase separation, which gives rise to the formation of the amorphous precursor phase preceding actual crystal growth of struvite. Our microscopy results confirm that the formation of Mg-struvite includes a short-lived amorphous phase, lasting &gt;10 s.</abstract>
    <parentTitle language="eng">The Journal of Chemical Physics</parentTitle>
    <identifier type="doi">10.1063/5.0166278</identifier>
    <identifier type="issn">1089-7690</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-584766</identifier>
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While this process is commonly used in engineered environments, our understanding of the underlying mechanisms responsible for the formation of struvite crystals remains limited. Specifically, indirect evidence suggests the involvement of an amorphous precursor and the occurrence of multi-step processes in struvite formation, which would indicate non-classical paths of nucleation and crystallization. In this study, we use synchrotron-based in situ x-ray scattering complemented by cryogenic transmission electron microscopy to obtain new insights from the earliest stages of struvite formation. The holistic scattering data captured the structure of an entire assembly in a time-resolved manner. The structural features comprise the aqueous medium, the growing struvite crystals, and any potential heterogeneities or complex entities. By analysing the scattering data, we found that the onset of crystallization causes a perturbation in the structure of the surrounding aqueous medium. 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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Stephanos Karafiludis</author>
    <author>E. Scoppola</author>
    <author>S.E. Wolf</author>
    <author>Z. Kochovski</author>
    <author>D. Matzdorff</author>
    <author>A. E. S. Van Driessche</author>
    <author>J. Hövelmann</author>
    <author>Franziska Emmerling</author>
    <author>Tomasz M. Stawski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Physical and theoretical chemistry</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Non-classical crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Struvite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Liquid-liquid-phase-separation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nucleation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In-situ scattering</value>
    </subject>
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    <issue>48</issue>
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    <title language="eng">Seeds of imperfection rule the mesocrystalline disorder in natural anhydrite single crystals</title>
    <abstract language="eng">In recent years, we have come to appreciate the astounding intricacies associated with the formation of minerals from ions in aqueous solutions. In this context, a number of studies have revealed that the nucleation of calcium sulfate systems occurs nonclassically, involving the aggregation and reorganization of nanosized prenucleation species. In recent work, we have shown that this particle-mediated nucleation pathway is actually imprinted in the resultant micrometer-sized CaSO4 crystals. This property of CaSO4 minerals provides us with the unique opportunity to search for evidence of nonclassical nucleation pathways in geological environments.&#13;
In particular, we focused on large anhydrite Crystals extracted from the Naica Mine in Mexico. We were able to shed light on this mineral's growth history by mapping defects at different length scales. Based on this, we argue that the nanoscale misalignment of the structural subunits, observed in the initial calcium sulfate crystal seeds, propagates through different length scales both in morphological, as well as in strictly crystallographic aspects, eventually causing the formation of large mesostructured single crystals of anhydrite. Hence, the nonclassical nucleation mechanism introduces a “seed of imperfection,” which leads to a macroscopic “single” crystal whose fragments do not fit together at different length scales in a self-similar manner. Consequently, anisotropic voids of various sizes are formed with very welldefined walls/edges. However, at the same time, the material retains in part its single crystal nature.</abstract>
    <parentTitle language="eng">Proceedings of the National Academy of Sciences of the United States of America (PNAS)</parentTitle>
    <identifier type="issn">0027-8424</identifier>
    <identifier type="doi">10.1073/pnas.2111213118</identifier>
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    <enrichment key="date_peer_review">29.11.2021</enrichment>
    <author>Tomasz Stawski</author>
    <author>Glen Jacob Smales</author>
    <author>E. Scoppola</author>
    <author>D. Jha</author>
    <author>L. F. G. Morales</author>
    <author>A. Moya</author>
    <author>R. Wirth</author>
    <author>Brian Richard Pauw</author>
    <author>Franziska Emmerling</author>
    <author>A. E. S. Van Driessche</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Calcium sulfate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Anhydrite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mesocrystal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nucleation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Naica</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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    <publisherName>Zenodo</publisherName>
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    <title language="eng">Supplementary data set for "Seeds of imperfection rule the mesocrystalline disorder in natural anhydrite single crystals"</title>
    <abstract language="eng">In recent years, we have come to appreciate the astounding intricacy of the formation process of minerals from ions in aqueous solutions. In this context, a number of studies have revealed that nucleation in the calcium sulfate system is non-classical, involving the aggregation and reorganization of nanosized prenucleation particles. In a recent work we have shown that this particle-mediated nucleation pathway is actually imprinted in the resultant single micron-sized CaSO4 crystals. This property of CaSO4 minerals provides us with an unique opportunity to search for evidence of non-classical nucleation pathways in geological environments. In particular, we focused on the quintessential single crystals of anhydrite extracted from the Naica mine in Mexico. We elucidated the growth history from this mineral sample by mapping growth defects at different length scales. Based on these data we argue that the nano-scale misalignment of the structural sub-units observed in the initial calcium sulfate crystal seed propagate through different length-scales both in morphological, as well as strictly crystallographic aspects, eventually causing the formation of large mesostructured single crystals of anhydrite. Hence, the nanoparticle mediated nucleation mechanism introduces a 'seed of imperfection', which leads to a macroscopic single crystal, in which its fragments do not fit together at different length-scales in a self-similar manner. Consequently, anisotropic voids of various sizes are formed with very well-defined walls/edges. But, at the same time the material retains its essential single crystal nature. These findings shed new light on the longstanding concept of crystal structure.</abstract>
    <identifier type="doi">10.5281/zenodo.4943234</identifier>
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    <enrichment key="ScientificNote">Complete data sets: 1. DATA_SAXS_WAXS.zip - raw and reduced SAXS and WAXS measurements. NXS format and metadata. 2. M-ERSC2020110901CT.zip - raw X-ray microtomography dataset. TIFF format and metadata. 3. Video_1_CT_3D_overview_XY_rotation.avi - uncompressed video. 4. Video_2_CT_3D_overview_ZX_rotation.avi - uncompressed video. 5. Video_3_CT_3D_internal_structure_XY_rotation.avi - uncompressed video.</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Tomasz Stawski</author>
    <author>Glen Jacob Smales</author>
    <author>E. Scoppola</author>
    <author>D. Jha</author>
    <author>L. F. G. Morales</author>
    <author>A. Moya</author>
    <author>R. Wirth</author>
    <author>Brian Richard Pauw</author>
    <author>Franziska Emmerling</author>
    <author>A. E. S. Van Driessche</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Calcium sulfate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mesocrystal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Anhydrite</value>
    </subject>
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    <publishedYear>2022</publishedYear>
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    <pageFirst>1</pageFirst>
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    <edition/>
    <issue>Special issue "Formation of sulfate minerals in natural and industrial environments"</issue>
    <volume>12(3)</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel</publisherPlace>
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    <title language="eng">Editorial for special issue "Formation of sulfate minerals in natural and industrial environments"</title>
    <abstract language="eng">Sulfate is abundant in the environment and, as a result, sulfate-containing minerals constitute a large and important focus of research. These minerals play an important role in many geochemical and industrial processes, including the sulfur cycle, the construction industry (e.g., plaster of Paris), fault tectonics, acid mine drainage, and even rare biominerals. Important to note are the abundant amounts of sulfate (minerals) located on the surface of Mars, and in meteorites, extending the relevance of this mineral group beyond the realm of our planet. In geological systems, sulfate minerals such as barite are also important for indicating certain sedimentation environments. In this regard, sulfate deposits can be used to evaluate the redox state of ancient oceans during early Earth time periods.</abstract>
    <parentTitle language="eng">Minerals</parentTitle>
    <identifier type="doi">10.3390/min12030299</identifier>
    <identifier type="issn">2075-163X</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-546794</identifier>
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    <enrichment key="date_peer_review">25.04.2022</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Tomasz Stawski</author>
    <author>A. E. S. Van Driessche</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Calcium sulfate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sulfates</value>
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    <file>https://opus4.kobv.de/opus4-bam/files/54679/minerals-12-00299-v2.pdf</file>
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    <publishedYear>2023</publishedYear>
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    <volume>173</volume>
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    <title language="eng">New insights into the nucleation of portlandite and the effects of polymeric additives</title>
    <abstract language="eng">The crystallization of calcium hydroxide (Ca(OH)2, CH, portlandite) is a key process during the early stages of cement hydration. In the present work, we have revisited the formation of this mineral through nucleation and growth from supersaturated aqueous solutions, in the light of the currently emerging picture of multistage “non-classical” crystallization. To that end, we developed a titration-based assay, in which stock solutions of both relevant ions are added simultaneously into a reservoir, where supersaturation increases slowly at constant stoichiometry until nucleation occurs. This procedure allows both pre- and early post-nucleation phenomena to be analyzed quantitatively. Complementarily, the early stages of portlandite mineralization were probed by various advanced characterization techniques, including cryo-transmission electron microscopy (cryo-TEM), in-situ small-angle X-ray scattering (SAXS), pair distribution function (PDF) analysis of high-energy X-ray scattering (HEXS) data, and analytical ultracentrifugation (AUC). The experimental data show that the formation of calcium hydroxide starts with the association of ions into complexes and clusters, which subsequently coalesce to form amorphous nanoparticles – much like what has been observed in the case of calcium carbonate and other prominent minerals. Subsequently, these particles aggregate and build networks, which eventually transform into hexagonal Ca(OH)2 crystals. The presence of a soluble polycarboxylate – as a known inhibitor of portlandite crystallization – does not change the main characteristics of this multistep nucleation pathway, but it proved capable of significantly extending the lifetime of the amorphous intermediate phase and thus delaying the transition to the final crystalline phase. Our observations confirm the notion that “non-classical” crystallization is a much more common phenomenon than initially believed – and that, for minerals forming in aqueous environments, it may actually be the rule rather than the exception.</abstract>
    <parentTitle language="eng">Cement and Concrete Research</parentTitle>
    <identifier type="doi">10.1016/j.cemconres.2023.107258</identifier>
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