内扩散对连续反应选择性影响的计算机模拟  

Inner Diffusion on Selectivity of Consecutive Reaction by Computer Simulation

作　　者：王志武[1] 姚俊婷[2] 张志坚 郭益群[1] 

机构地区：[1]郑州大学化学系,郑州450052 [2]郑州大学信息工程学院,郑州450052 [3]新乡市塑料厂,河南新乡453003

出　　处：《郑州大学学报（理学版）》2003年第3期67-69,72,共4页Journal of Zhengzhou University:Natural Science Edition

摘　　要：利用计算机编程绘制出内扩散对连续反应选择性的影响图 .在低转化率下 ,中间产物B的收率与A的转化率呈线性关系 ;在高转化率下 ,中间产物B的收率有极大值 .相同的Φ值下 ,k1/k2 值越大 ,内扩散影响越小 ;相同的k1/k2 ,Φ值越大 ,内扩散影响越大 ,与实验事实完全一致 .在连续反应中 ,可以方便地从图上求得宏观反应的选择性 。Using computer programme, the effect element figure of inner diffusion on selectivity of consecutive reaction is drawn .It shows the linear relation between the yield of intermediate B and the concentration of A under the range of lower concentration, and the yield of intermediate B is the best with the high concentration. Under the same Φ value, the more the value of k 1/k 2, the less the influence of inner diffusion is; and the more the value of Φ, the more the influence of inner diffusion is, which accords with the fact. In consecutive reaction,the selectivity of macro-reaction can be obtained expediently from the picture,and then the reaction condition can be determined according to demand.

关 键 词：内扩散 多相催化反应 连续反应 选择性 计算机模拟 转化率 线性关系 反应动力学 

分 类 号：O643.322[理学—物理化学] TP391.9[理学—化学]