热力学状态方程二元交互作用参数估算模型开发

The Development of Model for Estimation of Thermodynamic Equation of State Binary Interaction Parameter

基于气液平衡理论,建立了热力学状态方程二元交互作用参数估算模型。首先,结合气液平衡理论、状态方程以及相应的混合规则建立气液相平衡数学模型;然后以气相组成误差平方和与压力相对误差平方和之和作为目标函数,并使用计算机编程,利用单纯形法进行优化求解,实现了热力学状态方程二元交互作用参数估算模型的开发;最后,用该模型对5组二元气液平衡体系中的组分二元交互作用参数进行估算,并根据估算出的参数对各体系的气相组成进行预测,结果显示,预测值与实验值的平均相对偏差均小于1%,表明该模型计算结果准确,可应用于气液平衡计算中。

The model for estimation of thermodynamic equation of state （EOS） binary interaction parameter was developed. First, based on the theory of vaporliquid equilibrium, EOS and the corresponding mixing rules established the mathematical model of vapor - liquid equilibrium and then took the sum of vapor composition deviation and square relative deviation of pressure as the objective function, and combining programming techniques using the single simple method to solve the model, achieved the development of the estimation model of thermodynamic EOS binary interaction parameter. Finally through estimating the binary interaction parameters of 5 binary vaporliquid equilibrium systems, and then predicting vapor phase composition, compared with experimental values, the results showed that the mean relative pereentage error less than 1%, indicating that the model was accurate in its computation, and the results could be used in the calculation of the vapor - liquid equilibrium.