Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface?
Solid-liquid interfaces are omnipresent in nature and technology. Processes occurring at the mineral-water interface are pivotal in geochemistry, biology, as well as in many technological areas. In this context, gypsum—the dihydrate of calcium sulfate—plays a prominent role due to its widespread dis...
| Main Authors: | , , , , , , , |
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| Format: | Journal Article |
| Language: | English |
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AMER CHEMICAL SOC
2021
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| Subjects: | |
| Online Access: | http://purl.org/au-research/grants/arc/FL180100087 http://hdl.handle.net/20.500.11937/91489 |
| _version_ | 1848765528215126016 |
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| author | Söngen, H. Silvestri, A. Roshni, T. Klassen, S. Bechstein, R. Raiteri, Paolo Gale, Julian Kühnle, A. |
| author_facet | Söngen, H. Silvestri, A. Roshni, T. Klassen, S. Bechstein, R. Raiteri, Paolo Gale, Julian Kühnle, A. |
| author_sort | Söngen, H. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Solid-liquid interfaces are omnipresent in nature and technology. Processes occurring at the mineral-water interface are pivotal in geochemistry, biology, as well as in many technological areas. In this context, gypsum—the dihydrate of calcium sulfate—plays a prominent role due to its widespread distribution in the Earth’s crust and its manifold applications in technology. Despite this, many fundamental questions regarding the molecular-scale structure, including the fate of the crystal water molecules at the aqueous interface, remain poorly studied. Here, we present an atomic force microscopy (AFM) and molecular dynamics (MD) investigation to elucidate molecular-level details of the gypsum-water interface. Three-dimensional AFM data shed light into the hydration structure, revealing one water molecule per surface unit cell area in the lowest layer accessible to experiment. Comparing with simulation data suggests that the AFM tip does not penetrate into the surface-bound layer of crystal water. Instead, the first hydration water layer on top of the crystal water is mapped. Our findings indicate that the crystal water at the interface remains tightly bound, even when in contact with bulk water. Thus, the interfacial chemistry is governed by the crystal water rather than the calcium or sulfate ions. |
| first_indexed | 2025-11-14T11:36:41Z |
| format | Journal Article |
| id | curtin-20.500.11937-91489 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T11:36:41Z |
| publishDate | 2021 |
| publisher | AMER CHEMICAL SOC |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-914892023-05-09T06:11:30Z Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? Söngen, H. Silvestri, A. Roshni, T. Klassen, S. Bechstein, R. Raiteri, Paolo Gale, Julian Kühnle, A. Science & Technology Physical Sciences Technology Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Chemistry Science & Technology - Other Topics Materials Science SOLID-SURFACES BASSANITE DYNAMICS Solid-liquid interfaces are omnipresent in nature and technology. Processes occurring at the mineral-water interface are pivotal in geochemistry, biology, as well as in many technological areas. In this context, gypsum—the dihydrate of calcium sulfate—plays a prominent role due to its widespread distribution in the Earth’s crust and its manifold applications in technology. Despite this, many fundamental questions regarding the molecular-scale structure, including the fate of the crystal water molecules at the aqueous interface, remain poorly studied. Here, we present an atomic force microscopy (AFM) and molecular dynamics (MD) investigation to elucidate molecular-level details of the gypsum-water interface. Three-dimensional AFM data shed light into the hydration structure, revealing one water molecule per surface unit cell area in the lowest layer accessible to experiment. Comparing with simulation data suggests that the AFM tip does not penetrate into the surface-bound layer of crystal water. Instead, the first hydration water layer on top of the crystal water is mapped. Our findings indicate that the crystal water at the interface remains tightly bound, even when in contact with bulk water. Thus, the interfacial chemistry is governed by the crystal water rather than the calcium or sulfate ions. 2021 Journal Article http://hdl.handle.net/20.500.11937/91489 10.1021/acs.jpcc.1c06213 English http://purl.org/au-research/grants/arc/FL180100087 AMER CHEMICAL SOC fulltext |
| spellingShingle | Science & Technology Physical Sciences Technology Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Chemistry Science & Technology - Other Topics Materials Science SOLID-SURFACES BASSANITE DYNAMICS Söngen, H. Silvestri, A. Roshni, T. Klassen, S. Bechstein, R. Raiteri, Paolo Gale, Julian Kühnle, A. Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? |
| title | Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? |
| title_full | Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? |
| title_fullStr | Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? |
| title_full_unstemmed | Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? |
| title_short | Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? |
| title_sort | does the structural water within gypsum remain crystalline at the aqueous interface? |
| topic | Science & Technology Physical Sciences Technology Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Chemistry Science & Technology - Other Topics Materials Science SOLID-SURFACES BASSANITE DYNAMICS |
| url | http://purl.org/au-research/grants/arc/FL180100087 http://hdl.handle.net/20.500.11937/91489 |