微通道反应器氯磷酸单丁酯与正丁醇酯化反应数值模拟

基于微通道反应器内氯磷酸单丁酯（MCP）与正丁醇（n-BuOH）酯化反应的实验结果，确定了有限速率（finite-rate）模型所需的反应动力学参数（活化能和指前因子），进而通过此模型，采用数值模拟方法讨论了微通道几何尺寸及反应物进口流速对整个反应体系的影响。研究结果表明：在相同停留时间的前提下，管径减小使反应器出口位置的转化率升高，最高可达73%，并且反应器内物质分布的均匀性和一致性得到提升；在物料进口流速不变的条件下，随着反应器管长增加，出口位置反应物转化率有所提高，最高可达64%，但在实验条件的停留时间下，出口位置反应物转化率并没有达到峰值，峰值所在位置与出口位置相距约0.89m，存在一定的滞后现象；减小反应物进口流速会提高反应物的轴向转化率，但同时也会降低产品的质量流率。

Numerical simulation of the esterification between chlorophosphate and n-butyl alcohol in microchannel reactor

Based on the experimental result of esterification between chlorophosphate and N-butyl alcohol in the microchannel reactor, the parameters of finite-rate kinetics (e.g. pre-exponential factor and activation energy) were determined in this paper, and the influence of microchannel geometry and inlet velocity on the reaction system was investigated by numerical simulation. The results indicated that with the decrease of diameter, the conversion rate of outlet rose with the same residence time and reached to 73%. The uniformity and consistency of material distribution was improved. Under the consistent condition of constant flow rate at the inlet of the reactor, the conversion rate at the outlet of the product increased up to 64% with the development of the reactor's length, but the conversion rate of reactant at the outlet did not reach the peak value with the residence time of experimental conditions. There was a hysteresis that peak position and export position were about 0.89m apart. In addition, reducing the inlet flow rate of reactants would increase the axial conversion rate, but the mass flow rate of product was reduced simultaneously.