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用间断 Galerkin 方法求解色谱模型。

A discontinuous Galerkin method to solve chromatographic models.

机构信息

Max Planck Institute for Dynamics of Complex Technical Systems, Sandtorstrasse 1, 39106 Magdeburg, Germany.

出版信息

J Chromatogr A. 2011 Oct 7;1218(40):7137-46. doi: 10.1016/j.chroma.2011.08.005. Epub 2011 Aug 18.

Abstract

This article proposes a discontinuous Galerkin method for solving model equations describing isothermal non-reactive and reactive chromatography. The models contain a system of convection-diffusion-reaction partial differential equations with dominated convective terms. The suggested method has capability to capture sharp discontinuities and narrow peaks of the elution profiles. The accuracy of the method can be improved by introducing additional nodes in the same solution element and, hence, avoids the expansion of mesh stencils normally encountered in the high order finite volume schemes. Thus, the method can be uniformly applied up to boundary cells without loosing accuracy. The method is robust and well suited for large-scale time-dependent simulations of chromatographic processes where accuracy is highly demanding. Several test problems of isothermal non-reactive and reactive chromatographic processes are presented. The results of the current method are validated against flux-limiting finite volume schemes. The numerical results verify the efficiency and accuracy of the investigated method. The proposed scheme gives more resolved solutions than the high resolution finite volume schemes.

摘要

本文提出了一种求解描述等温非反应和反应色谱的模型方程的间断 Galerkin 方法。模型包含具有主导对流项的对流-扩散-反应偏微分方程组。所提出的方法能够捕捉洗脱曲线的陡峭不连续和狭窄峰。通过在同一解元中引入附加节点,可以提高方法的准确性,从而避免在高阶有限体积方案中通常遇到的网格模板扩展。因此,该方法可以均匀地应用于边界单元而不会损失准确性。该方法具有鲁棒性,非常适合对色谱过程进行大规模的时变模拟,在这些模拟中对准确性的要求非常高。本文提出了几个等温非反应和反应色谱过程的测试问题。当前方法的结果与通量限制有限体积方案进行了验证。数值结果验证了所研究方法的效率和准确性。与高分辨率有限体积方案相比,所提出的方案给出了更分辨率的解。

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