A nonisothermal two‐dimensional lumped kinetic model of reactive liquid chromatography is formulated and applied to simulate the separation of multicomponent mixtures in a fixed‐bed cylindrical column operating under nonisothermal condition. The axial and radial variations of concentration and temperature as well as reversibility of the chemical reactions are incorporated in the model equations. The model comprises a system of convection‐diffusion‐reaction partial differential equations coupled with algebraic and differential equations. Due to the nonlinearity of adsorption and reaction kinetics, it is required to apply an accurate numerical scheme for solving the model equations. In this study, an efficient and accurate high‐resolution flux‐limiting finite‐volume scheme is proposed to solve the model equations. A number of stoichiometrical reactions are numerically simulated to determine the level of coupling between the temperature and concentration profiles. Moreover, the effects of various critical parameters on the process performance are examined. The results obtained are beneficial for understanding reaction and separation processes inside a liquid chromatographic reactor and to improve its performance.

中文翻译：

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使用二维集总动力学模型模拟非等温反应液相色谱

建立了反应液相色谱的非等温二维集总动力学模型，并将其应用于模拟在非等温条件下运行的固定床圆柱形色谱柱中多组分混合物的分离。浓度和温度的轴向和径向变化以及化学反应的可逆性都包含在模型方程中。该模型包括一个对流-扩散-反应偏微分方程组以及代数和微分方程组。由于吸附和反应动力学的非线性，需要应用精确的数值方案来求解模型方程。在这项研究中，提出了一种有效且准确的高分辨率磁通限制有限体积方案来求解模型方程。对许多化学计量反应进行了数值模拟，以确定温度和浓度曲线之间的耦合程度。此外，检查了各种关键参数对过程性能的影响。获得的结果对于理解液相色谱反应器内的反应和分离过程并改善其性能是有益的。