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基于云模型的分布估计算法及其在物性参数估算中的应用

Keywords: 聚合体系,云模型,分布估计算法,链扰动统计缔合流体理论(PC-SAFT),二元交互参数,超临界流体

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Abstract:

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-chainstatisticalassociatingfluidtheory,PC-SAFT)状态方程二元交互参数kij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.

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