Download or read book Complementary Use of Computer Simulations and Molecular-thermodynamic Theory to Model Surfactant and Solubilizate Self-assembly written by Brian Curtis Stephenson and published by . This book was released on 2007 with total page 769 pages. Available in PDF, EPUB and Kindle. Book excerpt: (cont.) This thesis presents a detailed, atomistic-level computer simulation and molecular-thermodynamic investigation of the micellar solution behavior of nonionic, zwitterionic, and ionic surfactants in aqueous solutions, as well as of the aqueous micellar solubilization of solubilizates by surfactants. It is hoped that the approaches developed in this thesis to use computer simulations and molecular-thermodynamic theory in a complementary way will not only extend our ability to make accurate predictions of surfactant solution behavior, but will also contribute to our fundamental knowledge of the solution behavior of surfactants and solubilizates. It is further hoped that this thesis will provide a solid foundation for future research in the area of surfactant science, and, more generally, that it will assist future researchers working to connect atomistic-level computer simulation methods with continuum thermodynamic models.