煤炭直接液化体系高温高压气液相平衡研究进展及模型选择

Development and model selection of vapor-liquid equilibria at high temperatures and high pressures for direct coal liquefaction system

笔者从气液相平衡基础理论展开并综述了高温高压相平衡计算研究进展,介绍了状态方程法、混合模型法、超额Gibbs自由能—状态方程模型法,并重点介绍了超额Gibbs自由能—状态方程模型法的思路及应用特点。针对煤炭直接液化物系高温、高压、强不对称、强极性、完全非理想体系等特点,与结合传统混合规则的状态方程法及混合模型法相比较,采用超额Gibbs自由能—状态方程模型法能够在更大范围内准确计算和预测煤液化气液相平衡。

The article firstly spreads out exposition of the basic theory of vapor-liquid equilibria and the development of phase equilibrium calculation at high temperatures and high pressures was reviewed. Several models such as equation of state model, mixing model, Gibbs free energy-equation of state model were introduced. The research thought and application characteristics of Gibbs free energy-equation of state model were emphatically introduced. In accordance with the characteristic of high temperature, high pressure, strong asymmetry, strong polar, completely non-ideal system for direct coal liquefaction, the Gibbs free energy-equation of state model gave more precise result than equation of state model with conventional mixing rule and mixing model