Crystal growth from solution: Development in computer simulation |
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Authors: | P Bennema JP van der Eerden |
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Institution: | RIM Laboratory of Solid State Chemistry, Faculty of Science, Catholic University, Toernooiveld, Nijmegen, The Netherlands |
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Abstract: | It is shown in this paper that progress has been made in the understanding of crystal growth mechanisms of organic crystals growing from organic solutions or aqueous solution.The main part of this paper is devoted to the statistical mechanical background of the simulations. It is shown that it follows from the same formalism from which the transition probabilities of the computer simulations are derived that (i) crystal growth from solution is an allowed interpretation of the simulations (ii) expressions for the surface energy factor α and the driving force for crystallization can be derived for a real system. |
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