Simulating micrometre-scale crystal growth from solution
Understanding crystal growth is essential for controlling the crystallization used in industrial separation and purification processes. Because solids interact through their surfaces, crystal shape can influence both chemical and physical properties1. The thermodynamic morphology can readily be pred...
| Main Authors: | , , |
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| Format: | Journal Article |
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Nature Publishing
2005
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| Online Access: | http://hdl.handle.net/20.500.11937/25291 |
| _version_ | 1848751667798867968 |
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| author | Piana, Stefano Reyhani, Manijeh Gale, Julian |
| author_facet | Piana, Stefano Reyhani, Manijeh Gale, Julian |
| author_sort | Piana, Stefano |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Understanding crystal growth is essential for controlling the crystallization used in industrial separation and purification processes. Because solids interact through their surfaces, crystal shape can influence both chemical and physical properties1. The thermodynamic morphology can readily be predicted2, but most particle shapes are actually controlled by the kinetics of the atomic growth processes through which assembly occurs3. Here we study the urea-solvent interface at the nanometre scale and report kinetic Monte Carlo simulations of the micrometre-scale threedimensional growth of urea crystals. These simulations accurately reproduce experimentally observed crystal growth. Unlike previous models of crystal growth4-6, no assumption is made that the morphology can be constructed from the results for independently growing surfaces or from an a priori specification of surface defect concentration. This approach offers insights into the role of the solvent, the degree of supersaturation, and the contribution that extended defects (such as screw dislocations) make to crystal growth. It also connects observations made at the nanometre scale, through in situ atomic force microscopy, with those made at the macroscopic level. If extended to include additives, the technique could lead to the computer aided design of crystals. |
| first_indexed | 2025-11-14T07:56:22Z |
| format | Journal Article |
| id | curtin-20.500.11937-25291 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T07:56:22Z |
| publishDate | 2005 |
| publisher | Nature Publishing |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-252912017-09-13T15:52:05Z Simulating micrometre-scale crystal growth from solution Piana, Stefano Reyhani, Manijeh Gale, Julian Understanding crystal growth is essential for controlling the crystallization used in industrial separation and purification processes. Because solids interact through their surfaces, crystal shape can influence both chemical and physical properties1. The thermodynamic morphology can readily be predicted2, but most particle shapes are actually controlled by the kinetics of the atomic growth processes through which assembly occurs3. Here we study the urea-solvent interface at the nanometre scale and report kinetic Monte Carlo simulations of the micrometre-scale threedimensional growth of urea crystals. These simulations accurately reproduce experimentally observed crystal growth. Unlike previous models of crystal growth4-6, no assumption is made that the morphology can be constructed from the results for independently growing surfaces or from an a priori specification of surface defect concentration. This approach offers insights into the role of the solvent, the degree of supersaturation, and the contribution that extended defects (such as screw dislocations) make to crystal growth. It also connects observations made at the nanometre scale, through in situ atomic force microscopy, with those made at the macroscopic level. If extended to include additives, the technique could lead to the computer aided design of crystals. 2005 Journal Article http://hdl.handle.net/20.500.11937/25291 10.1038/nature04173 Nature Publishing restricted |
| spellingShingle | Piana, Stefano Reyhani, Manijeh Gale, Julian Simulating micrometre-scale crystal growth from solution |
| title | Simulating micrometre-scale crystal growth from solution |
| title_full | Simulating micrometre-scale crystal growth from solution |
| title_fullStr | Simulating micrometre-scale crystal growth from solution |
| title_full_unstemmed | Simulating micrometre-scale crystal growth from solution |
| title_short | Simulating micrometre-scale crystal growth from solution |
| title_sort | simulating micrometre-scale crystal growth from solution |
| url | http://hdl.handle.net/20.500.11937/25291 |