It is well known that local order and orientation preferences are observed in liquid phases in the vicinity of a solid substrate. Experimental and simulation studies show evidence of a high-density region extending several nanometers from the interface. Using the Monte Carlo method, we examine multicomponent partitioning, induced structural and orientation behavior, and temperature effects for a range of simple organic liquids and solutions near implicit and explicit surfaces. In particular, we examine these effects in solutions of compounds with varying molecular mass, branching, and class of compound (e.g., alkane vs. alcohol).

Examining the interface: Simulations exploring the effect of solid substrates on thin liquid films

249th National Meeting (2015)

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