A novel hybrid method for the calculation of methane hydrate-water interfacial tension along the three-phase (hydrate-liquid water-vapor) equilibrium line

摘要

We use a novel hybrid method to explore the temperature dependence of the solid-liquid interfacial tension of a system that consists of solid methane hydrate and liquid water. The calculated values along the three-phase (hydrate-liquid water-vapor) equilibrium line are obtained through the combination of available experimental measurements and computational results that are based on approaches at the atomistic scale, including molecular dynamics and Monte Carlo. An extensive comparison with available experimental and computational studies is performed, and a critical assessment and re-evaluation of previously reported data is presented.