Understanding the Barriers to Crystal Growth:Dynamical Simulation of the Dissolution and Growth of Urea from Aqueous Solution

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Understanding the Barriers to Crystal Growth:Dynamical Simulation of the Dissolution and Growth of Urea from Aqueous Solution

Both the dissolution and growth of a molecular crystalline material, urea, has been studied using dynamical atomistic simulation. The kinetic steps of dissolution and growth are clearly identified, and the activation energies for each possible step are calculated. Our molecular dynamics simulation...

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Bibliographic Details
Main Authors:	Piana, Stefano, Gale, Julian
Format:	Journal Article
Published:	The American Chemical Society 2005
Online Access:	http://pubs.acs.org/journals/jacsat/index.html http://hdl.handle.net/20.500.11937/34337

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