Theoretical Studies of Surfactant Films and Micellized Solutions

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Professor Gelbart is supported by a grant from the Theoretical and Computational Chemistry Program to perform theoretical studies directed at understanding the nature of amphiphiles. Amphiphiles are molecules which consist of a hydrophobic oil-soluble portion, and an ionic or polar water soluble portion. Amphiphiles aggregate to form micelles, and they are also involved in lipid bilayers which comprise biological membranes. Professor Gelbart's research will focus on several of the fundamental features of amphiphiles including the bending elasticity of surfactant films, phase transitions between defect states of amphiphilic lamellae, and successive orientational orderings in adsorbed monolayers. The self-assembly process which gives rise to the micellar unit will be studied in an effort to determine the way in which flow fields (viscous forces) affect the size of micelles. When appropriate, Monte Carlo and molecular dynamics simulations will be performed.