Abstract The effect of temperature variations in liquid chromatographic columns of cylindrical geometry are studied by formulating a non-isothermal and non-equilibrium two-dimensional (2D) lumped kinetic model (LKM) simulating the flows of two-component mixtures. The developed models contain systems of coupled convection-dominated partial differential, differential, and algebraic equations for mass and energy balances in the mobile and stationary phases. For linearized isotherms, semi-analytical solutions are obtained by utilizing a sequential application of finite Hankel and Laplace transformations along with Tschirnhaus-Vieta and eigen-decomposition techniques. Temporal moments are also generated numerically from the derived semi-analytical solutions for a deeper understanding of the process execution. For nonlinear isotherms, a high-resolution finite volume scheme (HR-FVS) is employed to numerically simulate the model equations and also utilized to benchmark the precision scopes of derived semi-analytical solutions. A few case studies of linear and nonlinear chromatography are conducted. The connectivity of thermal waves with the concentration peaks is examined via numerical simulations and essential model parameters that affect the chromatographic column performance are identified. The results of this study will be very useful for optimizing and improving the non-isothermal and non-equilibrium liquid chromatography involving two-component mixtures and cylindrical-shaped columns. Graphical Abstract

中文翻译：

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温度变化对柱内非平衡非等温双组分液相色谱的影响

摘要 通过建立非等温非平衡二维 (2D) 集总动力学模型 (LKM) 模拟双组分混合物的流动，研究了圆柱形几何形状液相色谱柱中温度变化的影响。开发的模型包含耦合对流主导的偏微分、微分和代数方程系统，用于移动和固定相中的质量和能量平衡。对于线性化等温线，通过利用有限 Hankel 和 Laplace 变换以及 Tschirnhaus-Vieta 和特征分解技术的顺序应用获得半解析解。时间矩也从衍生的半解析解中以数值方式生成，以便更深入地了解流程执行。对于非线性等温线，高分辨率有限体积方案 (HR-FVS) 用于对模型方程进行数值模拟，并用于对导出的半解析解的精度范围进行基准测试。进行了一些线性和非线性色谱的案例研究。通过数值模拟检查热波与浓度峰的连通性，并确定影响色谱柱性能的基本模型参数。本研究的结果对于优化和改进涉及双组分混合物和圆柱形柱的非等温非平衡液相色谱非常有用。图形概要 进行了一些线性和非线性色谱的案例研究。通过数值模拟检查热波与浓度峰的连通性，并确定影响色谱柱性能的基本模型参数。本研究的结果对于优化和改进涉及双组分混合物和圆柱形柱的非等温非平衡液相色谱非常有用。图形概要 进行了一些线性和非线性色谱的案例研究。通过数值模拟检查热波与浓度峰的连通性，并确定影响色谱柱性能的基本模型参数。本研究的结果对于优化和改进涉及双组分混合物和圆柱形柱的非等温非平衡液相色谱非常有用。图形概要 本研究的结果对于优化和改进涉及双组分混合物和圆柱形柱的非等温非平衡液相色谱非常有用。图形概要 本研究的结果对于优化和改进涉及双组分混合物和圆柱形柱的非等温非平衡液相色谱非常有用。图形概要