Assisted Desolvation as a Key Kinetic Step for Crystal Growth
The crystallization of materials from a supersaturated solution is a fundamental chemical process.Although several very successful models that provide a qualitative understanding of the crystal growth process exist, in most cases the atomistic detail of crystal growth is not fully understood. In thi...
| Main Authors: | , , |
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| Format: | Journal Article |
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The American Chemical Society
2006
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| Online Access: | http://pubs.acs.org/journals/jacsat/index.html http://hdl.handle.net/20.500.11937/36360 |
| _version_ | 1848754747674198016 |
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| author | Piana, Stefano Jones, Franca Gale, Julian |
| author_facet | Piana, Stefano Jones, Franca Gale, Julian |
| author_sort | Piana, Stefano |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | The crystallization of materials from a supersaturated solution is a fundamental chemical process.Although several very successful models that provide a qualitative understanding of the crystal growth process exist, in most cases the atomistic detail of crystal growth is not fully understood. In this work, molecular dynamics simulations of the morphologically most important surfaces of barite in contact with a supersaturated solution have been performed. The simulations show that an ordered and tightly bound layer of water molecules is present on the crystal surface. The approach of an ion to the surface requires desolvation of both the surface and the ion itself leading to an activated process that is rate limiting for two-dimensional nucleation to occur. However, desolvation on specific surfaces can be assisted by anions adsorbed on the crystal surface. This hypothesis, corroborated by crystallization and scanning electron microscopy studies, allows the rationalization of the morphology of barite crystals grown at different supersaturations. |
| first_indexed | 2025-11-14T08:45:20Z |
| format | Journal Article |
| id | curtin-20.500.11937-36360 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T08:45:20Z |
| publishDate | 2006 |
| publisher | The American Chemical Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-363602017-01-30T13:55:22Z Assisted Desolvation as a Key Kinetic Step for Crystal Growth Piana, Stefano Jones, Franca Gale, Julian The crystallization of materials from a supersaturated solution is a fundamental chemical process.Although several very successful models that provide a qualitative understanding of the crystal growth process exist, in most cases the atomistic detail of crystal growth is not fully understood. In this work, molecular dynamics simulations of the morphologically most important surfaces of barite in contact with a supersaturated solution have been performed. The simulations show that an ordered and tightly bound layer of water molecules is present on the crystal surface. The approach of an ion to the surface requires desolvation of both the surface and the ion itself leading to an activated process that is rate limiting for two-dimensional nucleation to occur. However, desolvation on specific surfaces can be assisted by anions adsorbed on the crystal surface. This hypothesis, corroborated by crystallization and scanning electron microscopy studies, allows the rationalization of the morphology of barite crystals grown at different supersaturations. 2006 Journal Article http://hdl.handle.net/20.500.11937/36360 http://pubs.acs.org/journals/jacsat/index.html http://pubs.acs.org/cgi-bin/article.cgi/jacsat/2006/128/i41/pdf/ja064706q.pdf The American Chemical Society restricted |
| spellingShingle | Piana, Stefano Jones, Franca Gale, Julian Assisted Desolvation as a Key Kinetic Step for Crystal Growth |
| title | Assisted Desolvation as a Key Kinetic Step for Crystal Growth |
| title_full | Assisted Desolvation as a Key Kinetic Step for Crystal Growth |
| title_fullStr | Assisted Desolvation as a Key Kinetic Step for Crystal Growth |
| title_full_unstemmed | Assisted Desolvation as a Key Kinetic Step for Crystal Growth |
| title_short | Assisted Desolvation as a Key Kinetic Step for Crystal Growth |
| title_sort | assisted desolvation as a key kinetic step for crystal growth |
| url | http://pubs.acs.org/journals/jacsat/index.html http://pubs.acs.org/journals/jacsat/index.html http://hdl.handle.net/20.500.11937/36360 |