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Efficient simulation of chromatographic separation processes
Computers & Chemical Engineering ( IF 3.9 ) Pub Date : 2017-12-20 , DOI: 10.1016/j.compchemeng.2017.12.006
Solomon F. Brown , Mark D. Ogden , Eric S. Fraga

This work presents the development and testing of an efficient, high resolution algorithm developed for the solution of equilibrium and non-equilibrium chromatographic problems as a means of simultaneously producing high fidelity predictions with a minimal increase in computational cost. The method involves the coupling of a high-order WENO scheme, adapted for use on non-uniform grids, with a piecewise adaptive grid (PAG) method to reduce runtime while accurately resolving the sharp gradients observed in the processes under investigation. Application of the method to a series of benchmark chromatographic test cases, within which an increasing number of components are included over short and long spatial domains and containing shocks, shows that the method is able to accurately resolve the discontinuities and that the use of the PAG method results in a reduction in the CPU runtime of up to 90%, without degradation of the solution, relative to an equivalent uniform grid.



中文翻译:

色谱分离过程的高效模拟

这项工作介绍了一种有效的高分辨率算法的开发和测试,该算法是为解决平衡和非平衡色谱问题而开发的,可以同时生成高保真度的预测,而计算成本的增加却最小。该方法涉及将适用于非均匀网格的高阶WENO方案与分段自适应网格(PAG)方法相结合,以减少运行时间,同时准确解决在研究过程中观察到的尖锐梯度。该方法在一系列基准色谱测试用例中的应用,其中在短和长空间域中包含越来越多的组分,并且包含冲击,

更新日期:2017-12-20
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