三甲基萘脱烷基反应S-系统数值解析

被称为S-系统的幂指数型解析法广泛应用在生物学研究中,但在化工领域应用很少.对该法在三甲基萘脱烷基管式催化反应器数值解析中的应用进行了阐述.将反应的相关微分方程组转化为S-系统标准形式,结合有限泰勒级数的一般算法进行S-系统解析,模拟了物料沿反应器长度的转化情况与反应达到稳定状态时的产物分布情况.运算结果与Runge-Kutta法运算结果吻合.选取不同操作条件进行计算,结果表明,压力增大有利于三甲基萘的转化和萘的生成,三甲基萘的转化率和萘的收率随反应时间的增加而增大,二甲基萘的收率随时间增加先增大后减小,一甲基萘的收率随时间增加而增大.S-系统解析对化工生产的模拟与分析具有高可靠性,解析结果对化工过程的平稳运行、故障诊断、优化设计具有指导意义.

Numerical analysis of dealkylation process of trimethylnaphthalene with S-system

Power-law representation, called S-system, has been widely used in biology, but its application to chemical engineering is rare. An application of this representation to the numerical analysis of dealkylation of trimethylnaphthalene in a tubular catalytic reactor is introduced. The relevant differential equations for the reactions are recast into S-system canonical form and numerically solved by the generalized calculation algorithm of a finite Taylor-series method. The conversion of reactant as function of reactor length and the distribution of products at the steady state are simulated. Comparisons of the calculated results with those by the Runge-Kutta method indicate consistency of the calculation algorithm. The calculation results under different operating conditions reveal that increased pressure leads to higher conversion of trimethylnaphthalene and generation of naphthalene. The conversion of trimethylnaphthalene and the yield of naphthalene increase with reaction time the yield of dimethylnaphthalene increases firstly and then decreases and the yield of methylnaphthalene increases with reaction time. The S-system method is highly reliable for the simulation and analysis of chemical production and the numerical analytical results can be used for the smooth operation, fault diagnosis and optimized design of chemical processes.