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

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.