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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| Format: | Journal Article |
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The American Chemical Society
2005
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| Online Access: | http://pubs.acs.org/journals/jacsat/index.html http://hdl.handle.net/20.500.11937/34337 |