Abstract A two-dimensional general rate model of non-isothermal reactive column chromatography is formulated considering homogenous and heterogeneous reaction rates, slow rates of adsorption–desorption kinetics, and enthalpies of adsorption and reaction. The model is expressed by a system of six nonlinear partial differential equations (PDEs) coupled with algebraic expressions for the adsorption and reaction rates. The nonlinearity of adsorption isotherm and reaction term hinders the derivation of analytical solutions. For that reason, a flux-limiting high-resolution finite volume scheme is suggested to numerically approximate the model equations. The effects of several kinetic and thermodynamic parameters are rigorously analyzed on the reactant conversion and components separation. Graphical Abstract

中文翻译：

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非等温反应液相色谱二维模型的数值近似，涉及慢速吸附-解吸动力学

摘要 考虑均相和非均相反应速率、缓慢的吸附-解吸动力学速率以及吸附和反应焓，建立了非等温反应柱色谱的二维通用速率模型。该模型由六个非线性偏微分方程 (PDE) 与吸附和反应速率的代数表达式组成的系统表示。吸附等温线和反应项的非线性阻碍了解析解的推导。因此，建议采用通量限制高分辨率有限体积方案在数值上近似模型方程。严格分析了几个动力学和热力学参数对反应物转化和组分分离的影响。图形概要