Development of a Novel Conversion Equation as a Function of Catalytic Reaction Conditions in Tubular Reactors

Abstract

A comprehensive conversion equation was developed to simulate the catalytic reaction conditions (include temperature, pressure, residence time, and reaction composition) in tubular reactors: X M = 1 − exp [ − exp ( A + B / T r + C T r ) p r n p 0 + n p 1 p r τ r n τ 0 + n τ 1 τ r ∏ i = 1 m y i n y 0 + n y 1 y i ] . This conversion equation is based on the characteristics of the power-exponential function as well as the “variable reaction order” and “virtual reactant” concepts. Its validity was verified by fitting experiment data from three different catalytic systems such as the dehydrogenation of diethyl benzene, the hydrogenation of ethylbenzene, and the hydrodesulfurization of thiophene. The results show that the influences of reaction temperature, pressure, residence time, and reactant composition on the conversion of the reactant can be determined within a wide range of values. By comparison with the experimental data, the calculated conversions were all found to have a total average relative deviation of less than 2%. This suggests that the conversion equation is not limited to a specific catalyst system but could be suitable for various catalyst systems in tubular reactors. ： 根据幂指函数g(u) = u a+bu 的特点, 借用“虚拟反应组分”和“变动级数”的概念, 提出了管式反应器系统中反应转化率与工艺条件的关系式 X M = 1 − exp [ − exp ( A + B / T r + C T r ) p r n p 0 + n p 1 p r τ r n τ 0 + n τ 1 τ r ∏ i = 1 m y i n y 0 + n y 1 y i ] . 为了验证该转化率方程的普适性, 考察了二乙苯催化脱氢、乙苯加氢和噻吩加氢脱硫等, 并利用 Matlab 软件分别对这三个催化体系的实验数据进行拟合. 结果表明, 此方程在较宽的范围内均能很好地反映温度、反应压力、空速和物料比对转化率的影响. 预测结果与实验数据之间的总平均相对偏差均小于 2%, 说明该方程并不是针对某一特定的催化反应或催化剂, 可用于大多数的管式反应器催化反应系统中. A comprehensive conversion equation was developed to simulate catalytic reaction conditions in tubular reactors. This equation is not limited to a specific catalyst system and is suitable for various catalyst systems.