Interfacial phenomena are of vital importance to industrial and commercial applications from enhanced oil recovery to personal care products. To optimize interfacial processes, amphiphiles are usually involved, and, unlike simple molecules, amphiphiles possess both hydrophilic (water-loving) and hydrophobic (oil-loving) properties. Compared to the knowledge gained regarding the properties of simple fluids in the bulk region, our knowledge of modeling and prediction of the phase behavior and interfacial properties of amphiphiles is relatively less abundant. The goal of this thesis is to enhance our understanding of the phase behavior and interfacial phenomena of the systems containing amphiphiles using molecular simulation and statistical mechanics based theories. In particular, we have studied fundamental aspects related to enhanced oil recovery, i.e. interfacial tension, micelle formation, middle-phase microemulsion, foam stability and wettability alteration of reservoir rock surfaces.
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