Robust and high-resolution simulations of nonlinear electrokinetic processes in variable cross-section channels

被引:29
作者
Bahga, Supreet S. [1 ]
Bercovici, Moran [2 ]
Santiago, Juan G. [1 ]
机构
[1] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA
[2] Technion Israel Inst Technol, Fac Mech Engn, IL-32000 Haifa, Israel
关键词
Electrokinetics; High-resolution; Quasi-1D model; Simulation; Variable cross-section; FLUX-CORRECTED TRANSPORT; ELECTROPHORETIC SEPARATIONS; CAPILLARY-ELECTROPHORESIS; ZONE ELECTROPHORESIS; COMPUTER-SIMULATION; IONIC-STRENGTH; ISOTACHOPHORESIS; DIFFUSION; DYNAMICS; JUNCTION;
D O I
10.1002/elps.201200264
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
We present a model and an associated numerical scheme to simulate complex electrokinetic processes in channels with nonuniform cross-sectional area. We develop a quasi-1D model based on local cross-sectional area averaging of the equations describing unsteady, multispecies, electromigration-diffusion transport. Our approach uses techniques of lubrication theory to approximate electrokinetic flows in channels with arbitrary variations in cross-section; and we include chemical equilibrium calculations for weak electrolytes, TaylorAris type dispersion due of nonuniform bulk flow, and the effects of ionic strength on species mobility and on acidbase equilibrium constants. To solve the quasi-1D governing equations, we provide a dissipative finite volume scheme that adds numerical dissipation at selective locations to ensure both unconditional stability and high accuracy. We couple the numerical scheme with a novel adaptive grid refinement algorithm that further improves the accuracy of simulations by minimizing numerical dissipation. We benchmark our numerical scheme with existing numerical schemes by simulating nonlinear electrokinetic problems, including ITP and electromigration dispersion in CZE. Simulation results show that our approach yields fast, stable, and high-resolution solutions using an order of magnitude less grid points compared to the existing dissipative schemes. To highlight our model's capabilities, we demonstrate simulations that predict increase in detection sensitivity of ITP in converging cross-sectional area channels. We also show that our simulations of ITP in variable cross-sectional area channels have very good quantitative agreement with published experimental data.
引用
收藏
页码:3036 / 3051
页数:16
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