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dc.contributor.authorPiana, Stefano
dc.contributor.authorJones, Franca
dc.contributor.authorGale, Julian
dc.date.accessioned2017-01-30T13:55:21Z
dc.date.available2017-01-30T13:55:21Z
dc.date.created2008-11-12T23:25:19Z
dc.date.issued2006
dc.identifier.citationPiana-agostinetti, Stefano and Jones, Franca and Gale, Julian. 2006. Assisted Desolvation as a Key Kinetic Step for Crystal Growth. Journal of the American Chemical Society 128: 13568-13574.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/36360
dc.description.abstract

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.

dc.publisherThe American Chemical Society
dc.relation.urihttp://pubs.acs.org/journals/jacsat/index.html
dc.relation.urihttp://pubs.acs.org/cgi-bin/article.cgi/jacsat/2006/128/i41/pdf/ja064706q.pdf
dc.titleAssisted Desolvation as a Key Kinetic Step for Crystal Growth
dc.typeJournal Article
dcterms.source.volume128
dcterms.source.startPage13568
dcterms.source.endPage13574
dcterms.source.titleJournal of the American Chemical Society
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Open access to this article will be available 12 months after publication via the website of the American Chemical Society. http://acswebcontent.acs.org/home.html

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The website for the Journal of the American Chemical Society is available at:

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http://pubs.acs.org/journals/jacsat/index.html

curtin.identifierEPR-1052
curtin.accessStatusFulltext not available
curtin.facultyDepartment of Applied Chemistry
curtin.facultyDivision of Engineering, Science and Computing
curtin.facultyFaculty of Science


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