文献类型：期刊文献

中文题名：固定床反应器流向振荡操作的模拟算法——改进变步长差分法

英文题名：An Algorithm for the Simulation of Fixed Bed Catalytic Reactors Operated Under Unsteady-State Conditions

作者：张瑞生[1];项红[1]

机构：[1]华东化工学院联合化学反应工程研究所

年份：1993

卷号：19

期号：3

起止页码：269

中文期刊名：华东化工学院学报

收录：国家哲学社会科学学术期刊数据库;Scopus;CSCD:【CSCD2011_2012】；

基金：国家自然科学基金

语种：中文

中文关键词：化学反应工程;固定床反应器;振荡

外文关键词：chemical reaction engineering;fixed-bed reactor;oscillation;simulation;algorithm

摘要：提出了改进的变步长差分法,用于求解固定床反应器作周期性流向切换操作时的温度分布和浓度分布。该方法能根据分布曲线的形状合理分布网格点,并在曲线迁移时自动调整格点分布,从而使格点数显著减少,计算时间大幅度下降。本方法用抛物线分段近似偏微分方程,使之成为三对角矩阵,简化了计算,便于求解。用SO_2氧化反应实验对算法作了验证。
A modified Crank-Nicolson method with non-equidistant space steps for solving the equations which describe fixed-bed catalytic reactors operated with periodic flow reversal has been presented. Its prime feature is the automatic positioning of grid points in the required region, thus reducing considerably the total number of grid points and hence the amount of computation time. This algorithm can be well suited to the dynamic reactor modelling for highly exothermic reactions in which steep concentration and temperature gradiants and moving profiles are commonly encountered. Numerical examples have been presented and theoretical predictions have been tested with experimental results of sulfur dioxide oxidation on vanadium catalyst.