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dc.contributor.authorPiana, Stefano
dc.contributor.authorGale, Julian
dc.date.accessioned2017-01-30T11:25:13Z
dc.date.available2017-01-30T11:25:13Z
dc.date.created2008-11-12T23:25:17Z
dc.date.issued2006
dc.identifier.citationPiana-agostinetti, Stefano and Gale, Julian. 2006. Three-dimensional kinetic Monte Carlo simulation of crystal growth from solution. Journal of Crystal Growth 294: 46-52.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/11522
dc.identifier.doi10.1016/j.jcrysgro.2006.05.020
dc.description.abstract

The growth of urea crystals from water and methanol solutions has been studied with kinetic Monte Carlo simulations. Parameters for the simulations were derived from atomistic molecular dynamics simulations of the growth and dissolution of urea from water and methanol solutions. This approach allows the effect of solvation on the growth and dissolution kinetics to be fully included while extending the size of the simulation to the micrometre length scale and millisecond timescale.

dc.publisherElsevier Science BV
dc.subjectA1.computer simulation
dc.subjectB1. Organic compounds
dc.subjectA1. Nucleation
dc.subjectA2. Growth from solutions
dc.titleThree-dimensional kinetic Monte Carlo simulation of crystal growth from solution
dc.typeJournal Article
dcterms.source.volume294
dcterms.source.startPage46
dcterms.source.endPage52
dcterms.source.titleJournal of Crystal Growth
curtin.note

Author's version of: Piana-agostinetti, Stefano and Gale, Julian (2006) Three-dimensional kinetic Monte Carlo simulation of crystal growth from solution, Journal of Crystal Growth 294:46-52.

curtin.note

Copyright 2006 Elsevier B.V. All rights reserved.

curtin.identifierEPR-980
curtin.accessStatusOpen access
curtin.facultyDepartment of Applied Chemistry
curtin.facultyDivision of Engineering, Science and Computing
curtin.facultyFaculty of Science


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