Thermodynamics and diffusion in size-symmetric and asymmetric dense electrolytes.

摘要: MD simulation results for model size-symmetric and asymmetric electrolytes at high densities temperatures (well outside the liquid-gas coexistence region) are generated analyzed focusing on thermodynamic diffusion properties. An extension of mean spherical approximation originally derived charged hard sphere fluids is adapted to these systems by exploiting separation short range Coulomb interaction contributions intrinsic theoretical models found perform well predicting equation state quantities. The coefficients can also be reasonably predicted using entropy scaling ideas suitably mixtures. Thus, this approach may provide an avenue studying dense or complex molecular containing species pressures temperatures.