摘要
计算复杂物系化学平衡的数学模型,由一个关于衍生组份总量的非线性方程和两个分别关于基础组份和衍生组份的线性方程组构成。计算方法是对基础组份建立目标函数,采用单纯形法求解。实例计算表明,该方法对初值要求低,收敛性好。具有计算简单方便,不必求解非线性方程组的特点。适用于工程计算。
A new method is developed in this paper for computing equilrbrium compo-sitions of systems with large numbers of species and elements.A mathematicalmodel is formed by a non-linear equation for sum of all derived constituents,anda linear equation system consisting of two equations respectively for fundamentaland derived constituents,that isn_r=[a(n_1,n_2,…,n_H)+n_R)^(br)C_r(n_1,n_2,…,n_H) (r=H+1,H+2,…,N)n_R=sum form r=H+1 to N C_r(a+n+R)^(b_r).sum form i=1 to H a_(ij)n_i=q_j(n_(H+1),n_(H+2),…,n_N) (j=1,2,…,H)φ(n_1,n_2,…n_H)=sum form i=1 to H (n_i^(p)-n_j^(p))~2→0The equations are solved by the simplicial method.Calculation results sh(?)wthat the requirement for original value is low and convergence is good.It issuitable for engineering calculation.
出处
《石油化工》
CAS
CSCD
北大核心
1989年第11期746-750,共5页
Petrochemical Technology
