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Recent progress in the simulation of complex fluids is reviewed. It is shown that the use of recently developed Monte Carlo techniques allows the simulation of systems that several years ago were considered impossible to study via molecular simulations only. It is now possible to apply simulation techniques, which used to be limited to systems containing small molecules, to systems which are of interest for petrochemical applications. In this review, this development is illustrated by two examples of practical importance: the adsorption of alkanes in zeolites and the phase behavior of longchain alkanes.
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Berend Smit (1996) studied this question.
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