R. James Kirkpatrick
Research in the Kirkpatrick laboratory focuses on understanding the structure, dynamics and energetics of materials of importance in geochemistry and in materials applications. Current efforts are on H2O, CO2, CH4, and a range of cations in 2-D nano-confinement and in meso-scale pores with applications to fluids in soils and other near-surface geochemical environments, and to geological C-sequestration and enhanced oil and gas production. Our research approach involves the combined application of experimental solid-state NMR, other spectroscopic methods, and X-ray diffraction with computational molecular modeling. The NMR studies include MAS experiments using newly developed in situ high pressure and temperature techniques. The computational modeling uses principally molecular dynamics (MD) approaches, including recently developed grand canonical MD methods (GCMD).