CAJ | 학술논문

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。
위료극복전통계산방법재고산복잡체계적삼수시왕왕난이보증기준학성적불족,인입일충개진적분포고계산법용래계산괄응우취합물체계적열역학상태방정삼수。해개진산법이운모형이론위기출,제출일충신형적구건충군개체해공간개솔모형적방법。사용측시함수험증결과표명,개진산법능유효지제고수렴속도화수색정도。장해방법응용우초림계을희배위취합체계적련우동통계체합류체이론( perturbed-chain statistical associating fluid theory, PC-SAFT)상태방정이원교호삼수kij적구해,소득결과용우상태방정재삼수화,능정학묘술조분간적기액상평형。
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 kij 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.