为了克服传统计算方法在估算复杂体系的参数时往往难以保证其准确性的不足,引入一种改进的分布估计算法用来计算适应于聚合物体系的热力学状态方程参数.该改进算法以云模型理论为基础,提出一种新型的构建种群个体解空间概率模型的方法.使用测试函数验证结果表明,改进算法能有效地提高收敛速度和搜索精度.将该方法应用于超临界乙烯配位聚合体系的链扰动统计缔合流体理论(perturbed-chain statistical associating fluid theory,PC-SAFT)状态方程二元交互参数k_(ij)的求解,所得结果用于状态方程再参数化,能精确描述组分间的气液相平衡.
Because the accuracy in estimating complex system parameters is difficult to ensure by adopting traditional calculation methods,an improved intelligent optimization algorithm was introduced in this article.The new optimization algorithm adopted a new method which was based on the cloud model theory to construct the probability model of the problems' solution space.The test by some benchmark functions shows that the new algorithm can effectively improve the convergence speed and searching precision.And this method is applied to calculate binary interaction parameters k_(ij) in PC-SAFT state equation of the supercritical ethylene coordination polymerization system.A comparison with literature data shows that calculated binary interaction parameters can accurately describe the gas-liquid phase equilibrium among components.