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dc.contributor.authorPiana, Stefano
dc.contributor.authorGale, Julian
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.

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 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.titleJournal of Crystal Growth

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.


Copyright 2006 Elsevier B.V. All rights reserved.

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

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