Statistical Thermodynamic Model Of Real Gas And Computer Simulation Of Its Vapor-Liquid Phase Equilibria

In this article, we did computer simulation for the statistical thermodynamic model of real gas and its vapor-liquid phase equilibria. In the computer simulation of statistical thermodynamic model of real gas, we introduced statistical thermodynamics of real gas and simulated for the abstract conception---phase space; in addition, we verified the detailed process of deducing several usual equations of state from the canonical partition function of real gas. In the calculation and simulation of vapor-liquid phase equilibria of real gas, we introduced several usual mathematical models of real gas, did simulation for three-dimensional and two-dimensional phase diagrams of ideal gas and real gas and calculated the p-V-T properties for vapor-liquid phase equilibria of real gas. We studied the calculation of saturated vapor pressure, saturated vapor molal volume and saturated liquid molal valume of seventeen substances with different molecular structures(nonpolar or low-polar, polar and catenulated molecules) when getting vapor-liquid phase equilibria at different temperatures by four typical cubic equations of state, which is the abbreviation of the calculation of p-V properties of vapor-liquid phase equilibria. Moreover, we studied the rule of saturated vapor pressure with the variation of temperature when above-mentioned real gas was in vapor-liquid phase equilibria, which is the abbreviation of the calculation of p-T properties of vapor-liquid phase equilibria. In this article, we integrated the statistical thermodynamic model of real gas, related numerical calculation, computer science and multimedia technique and explored a new way of studying real gas. It successfully promoted the cross, penetration and complementation between different scientific realms.