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Abstract Applications of the Monte Carlo method to selected chemical systems are briefly reviewed. Several models of molecular chains are introduced emphasizing the random walk concept and comparison with scaling predictions. The Monte Carlo approach is illustrated with a system of two interacting, self-assembled monolayers of amphiphile molecules using an off-lattice, good solvent model. Mean size chain properties and density profiles are discussed for separated and interacting layers and compared with results from lattice simulations. It is demonstrated that Monte Carlo simulations compliment both theory and experiment in understanding complex chemical systems in predicting their properties Keywords: Monte Carlo simulation; Self-avoiding random walks; Off-lattice models; Scaling predictions; Self-assembled monolayers; Surface-surface interaction |
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Author: Axel Drefahl Preface | Complete review as pdf-document: www.axeleratio.com/axel/reviewMCS.pdf |
Last modified: October 27, 2011
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