Abstract
AbstractA nonlinear and nonisothermal two‐dimensional general rate model is formulated and approximated numerically to allow quantitatively analyzing the effects of temperature variations on the separations and reactions in liquid chromatographic reactors of cylindrical geometry. The model equations form a nonlinear system of convection‐diffusion‐reaction partial differential equations coupled with algebraic equations for isotherms and reactions. A semidiscrete high‐resolution finite volume method is modified to approximate the system of partial differential equations. The coupling between the thermal waves and concentration fronts is demonstrated through numerical simulations, and important parameters are pointed out that influence the reactor performance. To evaluate the precision of the model predictions, consistency checks are successfully carried out proving the accuracy of the predictions. The results allow to quantify the influence of thermal effects on the performance of the fixed beds for different typical values of enthalpies of adsorption and reaction and axial and radial Peclet numbers for mass and heat transfer. Furthermore, they provide useful insight into the sensitivity of nonisothermal chromatographic reactor operation.
Highlights
Reactive chromatographic column is a multifunctional reactor, which integrates reaction and separation processes into the same unit.[1]
The results show that a heat capacity ratio of solid phase to liquid phase plays an important role in the case of nonisothermal chromatographic reactor operation
The considered model equations and the corresponding numerical solution technique are more flexible and general, which are capable of handling the cases of both diluted and large volume samples
Summary
Reactive chromatographic column is a multifunctional reactor, which integrates reaction and separation processes into the same unit.[1]. The Laplace transform method is often applied to solve the resulting linear model equations analytically due to its moment generating property.[25,26] The derived analytical solutions provide fruitful information about the elution profiles propagating through the column and about the influence of kinetic and thermodynamic parameters on the process These solutions could be helpful to validate the numerical solutions of nonlinear models. The same nonlinear and nonisothermal reaction behavior presented in this article cannot be accommodated in the analytical framework presented in our previous article.[26] The considered model equations and the corresponding numerical solution technique are more flexible and general, which are capable of handling the cases of both diluted and large volume samples.
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