Diffuse interface model for a single-component liquid-vapor system.

Abstract

We elucidate the theoretical relationships among fundamental physical concepts that are involved in the diffuse interface modeling for an isothermal single-component liquid-vapor system, which cover both the equationof state (EOS) and the surface tension force. As an example, a flat surface at equilibrium is discussed both theoretically and numerically by using two different approaches. Particularly, the force structure in the transition region is clearly presented, which demonstrates that the capillary contributions due to the density gradients can suppress the mechanical instability of the thermodynamic pressure and lead to constant hydrodynamic pressure (and chemical potential). Then, by comparing with the van der Waals (vdW) EOS for a flat interface at equilibrium, it is shown that applying the double-well approximation can give qualitative predictions for relatively high density ratio (ρ_{l}/ρ_{g}=7.784) and satisfactory results for relatively low density ratio (ρ_{l}/ρ_{g}=1.774). The main cause for this observation is attributed to the nonlinear variation of the generalized coefficient function in the double-well formulation at different density ratios. In addition, for the latter case, we simulate a droplet impact on a hydrophilic wall by using a recently proposed well-balanced discrete unified gas kinetic scheme (WB-DUGKS), which justifies the applicability of the double-well approximation to complex interfacial dynamics in the low-density-ratio limit. Furthermore, the reason for the inconsistency between the coefficients of the mean-field force expressions in the existing literature is explained.