Open source simulation tool for electrophoretic stacking, focusing, and separation
Open source simulation tool for electrophoretic stacking, focusing, and separation
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DOI：
10.1016/j.chroma.2008.12.022
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发表时间：
2009-02-06
影响因子：
4.1
通讯作者：
Santiago, Juan G.
中科院分区：
文献类型：
--
作者：
Bercovici, Moran;Lele, Sanjiva K.;Santiago, Juan G.
我们介绍了一种新的模拟工具的开发、配方和性能，该工具用于毛细管电泳法、等速电泳法和场放大样堆积等电泳预浓缩和分离过程。该程序求解多个多价弱电解质(包括两性电解质)的一维瞬时对流扩散方程，并包括压力驱动流动和Taylor-Aris弥散模型。该程序使用了一种新的方法来离散方程，该方法由高分辨率紧凑格式和自适应网格算法相结合组成。我们表明，这种组合允许在高电场下精确地分辨尖锐的浓度梯度，同时显著地减少计算时间。在当前密度高达5000A/m(2)的情况下，我们仅使用300个网格点就证明了光滑、稳定和精确的解，并且与同等的均匀网格技术相比，计算时间减少了75倍。该代码可以在http://microfluidics.stanford.edu.上免费获得(C)2008爱思唯尔B.V.保留所有权利。
We present the development, formulation, and performance of a new simulation tool for electrophoretic preconcentration and separation processes such as capillary electrophoresis, isotachophoresis, and field amplified sample stacking. The code solves the one-dimensional transient advection-diffusion equations for multiple multivalent weak electrolytes (including ampholytes) and includes a model for pressure-driven flow and Taylor-Aris dispersion. The code uses a new approach for the discretization of the equations, consisting of a high resolution compact scheme which is combined with an adaptive grid algorithm. We show that this combination allows for accurate resolution of sharp concentration gradients at high electric fields, while at the same time significantly reducing the computational time. We demonstrate smooth, stable, and accurate solutions at current densities as high as 5000 A/m(2) using only 300 grid points, and a 75-fold reduction in computational time compared with equivalent uniform grid techniques. The code is available as an open source for free at http://microfluidics.stanford.edu. (C) 2008 Elsevier B.V. All rights reserved.