Numerical study on gas-liquid nano-flows with pseudo-particle modeling and soft-particle molecular dynamics simulation

We couple pseudo-particle modeling (PPM, Ge and Li in Chem Eng Sci 58(8):1565-1585, 2003), a variant of hard-particle molecular dynamics, with standard soft-particle molecular dynamics (MD) to study an idealized gas-liquid flow in nano-channels. The coupling helps to keep sharp contrast between gas and liquid behaviors and the simulations conducted provide a reference frame for exploring more complex and realistic gas-liquid nano-flows. The qualitative nature and general flow patterns of the flow under such extreme conditions are found to be consistent with its macro-scale counterpart.