Molecular Dynamics Predictions of Specific Fluid-Fluid Interfacial Properties during Geosequestration

Abstract

In this work, we computationally studied and predicted fluid (H2S and acid gas (CO2/H2S)) properties such as interfacial tension, interfacial thickness, fluid and formation water densities, radial distribution functions (RDF) of some key pair interactions, the absorption of fluids in formation water, and adsorption onto the surface of water. These were determined at different reservoir temperatures and pressures and compared to experimental data where applicable. Most of the properties showed results in good agreement.