| Abstract
| - Chemical reactions are known to behave differently, depending upon their local environment. While theinteractions with neighboring molecules may alter both the kinetics of chemical reactions and the overallequilibrium conversion, we have performed simulations of the latter. The particular environment that weaddress is the vapor−liquid interface, since only a few, limited studies have explored the influence of aninterface on equilibrium reaction behavior. Simple dimerization reactions are modeled, as well as more complexmulticomponent reactions, using the reactive Monte Carlo (RxMC) simulation technique. We find that theconversion of a reaction can be markedly different at an interface as compared to the bulk vapor and liquidphases, and these trends are analyzed with respect to specific intermolecular interactions. In conjunction, wecalculate the surface tension of the reacting fluids at the interface, which is found to have unusual scalingbehavior, with respect to the system temperature.
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