Molecular simulation studies of the physical effects of non-ideal environments on chemical reaction equilibria and kinetics were presented. The Reactive Monte Carlo simulation method was used to study a variety of non-ideal surroundings, including: reacting systems at extremely high temperature and pressure; reactions in carbon slit-pores and nanotubes; and reactions carried out in supercritical fluid solvents. The method is found to be a capable tool for assessing physical effects on reactions for such systems. Notably, the Reactive Monte Carlo method provides species concentration data, which are typically unavailable from experimental measurements of these systems.
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