"Molecular Modeling of Phase Equilibria in Porous Media: Application to Enhanced Oil Recovery"
In this project the technology needs of the oil industry will be addressed by providing tools that can be used to better understand the thermodynamic processes taking place during enhanced oil recovery (EOR). Specifically a molecular based framework will be developed with which to study the phase behavior, both in bulk and porous media, of systems relevant to EOR. In order to achieve this goal, theoretical developments to accurately study, with the minimum of reliance on experimental data, systems relevant to EOR will be incorporated into a sophisticated SAFT (statistical associating fluid theory) approach. In particular molecular polarity (such as that seen in nitrogen and carbon dioxide which are important fluids in oil extraction) and monomer heterogeneity (needed to accurately model aromatic compounds) will be incorporated into the molecular model. These interactions are also of fundamental importance in accurately modeling the effects of surfactant molecules on oil plus water phase behavior. Additionally, within the SAFT approach a molecular based theory for studying the phase behavior of fluids in porous media will be developed. By computing the thermodynamic equilibria between the confined fluid and bulk fluid, both described by SAFT, adsorption phenomena can be studied. This represents a significant modeling challenge, though if successful would allow us to treat phase behavior in bulk and confined fluids on an equal footing.
The broader impacts of the proposal are (1) education of graduate and undergraduate students (including women and minorities) and the international cooperation with Mexico, and (2) energy applications in enhanced oil recovery.
