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This manuscript details the method to determine the surface excess from readily derivable ensemble properties, namely the pressure tensor, via computational molecular dynamics. It will then expand upon the theoretical and practical uses of quantities in Gibbs-Duhem like relationships for the surface excess and molecular concentration at the interface. Furthermore, it details several limitations of computational molecular dynamics, mainly to determine force field parameters natively and also todoi:10.4172/2169-0022.1000310 fatcat:jg4r3qo7unfbrcmovjfuyiunni