9309835 Gubbins The behavior of fluids in microporous and membrane systems will be investigated using novel methods, that allow the permeability of the pore wall to be controlled while maintaining its atomic nature. A realistic model of the micropore will be developed based on these methods. The fluid behavior will be studied with respect to its structural, thermodynamic and transport properties. Special attention will be given to the study of anisotropy in viscosity and thermal conductivity in confined systems. Non-equilibrium molecular dynamics (NEMD) methods will be developed for investigating these transport properties.
