Molecular simulation of fluid phase equilibria
نویسنده
چکیده
Recent advances in direct and indirect methods of molecular simulation for studying fluid phase equilibria are reviewed. The emphasis is on phase equilibria for fluids of nonspherical molecules, including ionic fluids, aqueous mixtures, hydrocarbons and chain molecules.
منابع مشابه
Molecular Simulation of Phase Equilibria
This chapter presents an introduction to the rapidly expanding field of molecular simulation methodologies for calculations of fluid-phase coexistence, with particular emphasis on high pressure and supercritical systems. The first part of the chapter deals with methodological issues. The focus is on Monte-Carlo techniques for the determination of free energies and phase equilibria. Particle ins...
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تاریخ انتشار 2004