phd Hybrid MC/MD Simulations of Carbon Deformation Developed novel simulation approach combining Monte Carlo and Molecular Dynamics to predict how nanoporous carbons deform during gas adsorption SAFT-DFT Modeling of Deformation During Binary Gas Adsorption Developed models integrating SAFT-DFT and GCMC simulations to predict carbon deformation during CO₂/CH₄ adsorption 3D Carbon Models for Adsorption Characterization Developed 3D molecular models to predict adsorption of fluids and hydrocarbons on nanoporous carbons Predicting Coal Deformation During Gas Adsorption Developed thermodynamic models to predict coal swelling during CO2-enhanced methane recovery undergrad
