Molecular dynamics simulations of the effects of salts on the aggregation properties of benzene in water [electronic resource].
Published
Washington, D.C. : United States. Dept. of Energy. Office of Energy Research, 2003. Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
The specific aims of the project were: to provide an atomic level description of the interactions between benzene, water and ions in solutions. To determine the degree of association between two benzene molecules in aqueous and salt solutions. To investigate the structure and dynamics of the interface between benzene and water or salt solution.