A novel partial differential algebraic equation (PDAE) solver: iterative space-time conservation element/solution element (CE/SE) method

被引:37
|
作者
Lim, YI [1 ]
Chang, SC
Jorgensen, SB
机构
[1] Tech Univ Denmark, Dept Chem Engn, CAPEC, Lyngby, Denmark
[2] NASA, Glenn Res Ctr, Cleveland, OH 44135 USA
关键词
numerical analysis; partial differential algebraic equations (PDAEs); space-time CE/SE method; method of lines (MOL); chromatographic adsorption problem; protein ion-exchange separation;
D O I
10.1016/j.compchemeng.2003.09.016
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
For solving partial differential algebraic equations (PDAEs), the space-time conservation element/solution element (CE/SE) method is addressed in this study. The method of lines (MOL) using an implicit time integrator is compared with the CE/SE method in terms of computational efficiency, solution accuracy and stability. The space-time CE/SE method is successfully implemented to solve PDAE systems through combining an iteration procedure for nonlinear algebraic equations. For illustration, chromatographic adsorption problems including convection, diffusion and reaction terms with a linear or nonlinear adsorption isotherm are solved by the two methods. The CE/SE method enforces both local and global flux conservation in space and time, and uses a simple stencil structure (two points at the previous time level and one point at the present time level). Thus, accurate and computationally-efficient numerical solutions are obtained. Stable solutions are guaranteed if the Courant-Friedrichs-Lewy (CFL) condition is satisfied. Solutions to two case studies demonstrate that the CE/SE numerical solutions are comparative in accuracy to those obtained from a MOL discretized by the 5th-order weighted essentially non-oscillatory (WENO) upwinding scheme with a significantly shorter calculation time. (C) 2003 Elsevier Ltd. All rights reserved.
引用
收藏
页码:1309 / 1324
页数:16
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