最小能量函数法求解多元相平衡

Phase equilibrium calculation by minimization of energy function

根据孤立系统平衡时熵最大原理 ,利用已有的优化工具包 ,在一定温度和压力下 ,使系统吉布斯自由能最小化 ,求解多元相平衡问题 .作为实例 ,给出了绿色制冷剂 R32与 R1 34 a混合体系在不同压力 ( 2 0 k Pa～ 5 MPa)下平衡组分的计算结果 ;该结果同已有的实验数据吻合 .由于该方法的基础性和一般性 ,有望成为包括流体流动、浓度扩散、物质相变以及化学反应在内的复杂过程的统一的热力学处理方法 .

Based on the principle of the maximum entropy at system equilibrium, equilibrium of a multicomponent multiphase system is determined by minimizing the Gibbs free energy at a given temperature and pressure with available optimum toolbox. As an example, equilibrium compositions of a binary mixture of green refrigerating media, R32 and R134a, are predicated in a wide range of pressure (20 kPa^5 MPa), which agree with the measured data. Because of its groundwork and generality, the proposed method is promising to become a uniform thermodynamic method for complex processes accompanying with fluid flow, concentration diffusion, phase change and chemical reaction.