SUPG and discontinuity-capturing methods for coupled fluid mechanics and electrochemical transport problems
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Abstract
Electrophoresis is the motion of charged particles relative to the surrounding liquid under the influence of an external electric field. This electrochemical transport process is used in many scientific and technological areas to separate chemical species. Modeling and simulation of electrophoretic transport enables a better understanding of the physicochemical processes developed during the electrophoretic separations and the optimization of various parameters of the electrophoresis devices and their performance. Electrophoretic transport is a multiphysics and multiscale problem. Mass transport, fluid mechanics, electric problems, and their interactions have to be solved in domains with length scales ranging from nanometers to centimeters. We use a finite element method for the computations. Without proper numerical stabilization, computation of coupled fluid mechanics, electrophoretic transport, and electric problems would suffer from spurious oscillations that are related to the high values of the local Péclet and Reynolds numbers and the nonzero divergence of the migration field. To overcome these computational challenges, we propose a stabilized finite element method based on the Streamline-Upwind/Petrov-Galerkin (SUPG) formulation and discontinuity-capturing techniques. To demonstrate the effectiveness of the stabilized formulation, we present test computations with 1D, 2D, and 3D electrophoretic transport problems of technological interest.
Keywords
Electrophoresis Fluid mechanics Electrochemical transport Finite element computation SUPG stabilization Discontinuity capturingPreview
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References
- 1.Albrecht JW, El-Ali J, Jensen KF (2007) Cascaded free-flow isoelectric focusing for improved focusing speed and resolution. Anal Chem 79: 9364–9371CrossRefGoogle Scholar
- 2.Arnaud I, Josserand J, Rossier J, Girault H (2002) Finite element simulation of off-gel buffering. Electrophoresis 23: 3253–3261CrossRefGoogle Scholar
- 3.Barz DP (2009) Comprehensive model of electrokinetic flow and migration in microchannels with conductivity gradients. Microfluid Nanofluidics 7(2): 249–265CrossRefGoogle Scholar
- 4.Bazilevs Y, Calo VM, Tezduyar TE, Hughes TJR (2007) YZβ discontinuity-capturing for advection-dominated processes with application to arterial drug delivery. Int J Numer Methods Fluids 54: 593–608. doi: 10.1002/fld.1484 MathSciNetMATHCrossRefGoogle Scholar
- 5.Bercovici M, Lele SK, Santiago JG (2009) Open source simulation tool for electrophoretic stacking, focusing, and separation. J Chromatogr A 1216: 1008–1018CrossRefGoogle Scholar
- 6.Berli CLA (2008) Equivalent circuit modeling of electrokinetically driven analytical microsystems. Microfluid Nanofluidics 4(5): 391–399CrossRefGoogle Scholar
- 7.Berli CLA, Piaggio M, Deiber J (2003) Modeling the zeta potential of silica capillaries in relation to the background electrolyte composition. Electrophoresis 24: 1587–1595CrossRefGoogle Scholar
- 8.Brooks AN, Hughes TJR (1982) Streamline upwind/Petrov-Galerkin formulations for convection dominated flows with particular emphasis on the incompressible Navier-Stokes equations. Comput Methods Appl Mech Eng 32: 199–259MathSciNetMATHCrossRefGoogle Scholar
- 9.Brunet E, Adjari A (2004) Generalized Onsager relations for electrokinetic effects in anisotropic and heterogeneous geometries. Phys Rev E 69(1): 016306CrossRefGoogle Scholar
- 10.Chatterjee A (2003) Generalized numerical formulations for multi-physics microfluidics-type applications. J Micromech Microeng 13: 758–767CrossRefGoogle Scholar
- 11.Chau M, Spiteri P, Guivarich R, Boisson H (2008) Parallel asynchronous iterations for the solution of a 3d continuous flow electrophoresis problem. Comput Fluids 37(9): 1126–1137MATHCrossRefGoogle Scholar
- 12.Corsini A, Iossa C, Rispoli F, Tezduyar TE (2010) A DRD finite element formulation for computing turbulent reacting flows in gas turbine combustors. Comput Mech 46: 159–167. doi: 10.1007/s00466-009-0441-0 MathSciNetMATHCrossRefGoogle Scholar
- 13.Corsini A, Menichini C, Rispoli F, Santoriello A, Tezduyar TE (2009) A multiscale finite element formulation with discontinuity capturing for turbulence models with dominant reactionlike terms. J Appl Mech 76: 021211. doi: 10.1115/1.3062967 CrossRefGoogle Scholar
- 14.Corsini A, Rispoli F, Santoriello A, Tezduyar TE (2006) Improved discontinuity-capturing finite element techniques for reaction effects in turbulence computation. Comput Mech 38: 356–364. doi: 10.1007/s00466-006-0045-x MathSciNetMATHCrossRefGoogle Scholar
- 15.Corsini A, Rispoli F, Tezduyar TE (2011) Stabilized finite element computation of NOx emission in aero-engine combustors. Int J Numer Methods Fluids 65: 254–270. doi: 10.1002/fld.2451 MathSciNetMATHCrossRefGoogle Scholar
- 16.Corsini A, Rispoli F, Tezduyar TE (2012) Computer modeling of wave-energy air turbines with the SUPG/PSPG formulation and discontinuity-capturing technique. J Appl Mech 79: 010910. doi: 10.1115/1.4005060 CrossRefGoogle Scholar
- 17.Craven TJ, Rees JM, Zimmerman WB (2008) On slip velocity boundary conditions for electroosmotic flow near sharp corners. Phys Fluids 20(4): 043603CrossRefGoogle Scholar
- 18.Ermakov S, Jacobson S, Ramsey J (1998) Computer simulations of electrokinetic transport in microfabricated channel structures. Anal Chem 70(21): 4494–4504CrossRefGoogle Scholar
- 19.Ganjoo DK, Tezduyar TE (1987) Petrov-Galerkin formulations for electrochemical processes. Comput Methods Appl Mech Eng 65: 61–83. doi: 10.1016/0045-7825(87)90183-6 MATHCrossRefGoogle Scholar
- 20.Ganjoo DK, Tezduyar TE, Goodrich WD (1989) A new formulation for numerical solution of electrophoresis separation processes. Comput Methods Appl Mech Eng 75: 515–530. doi: 10.1016/0045-7825(89)90045-5 MathSciNetMATHCrossRefGoogle Scholar
- 21.Hessel V, Lowe H, Schönfeld F (2005) Micromixers—a review on passive and active mixing principles. Chem Eng Sci 60(8–9): 2479–2501Google Scholar
- 22.Hruška V, Jaros M, Gaš B (2006) Simul 5—free dynamic simulator of electrophoresis. Electrophoresis 27: 984–991CrossRefGoogle Scholar
- 23.Hsu MC, Bazilevs Y, Calo VM, Tezduyar TE, Hughes TJR (2010) Improving stability of stabilized and multiscale formulations in flow simulations at small time steps. Comput Methods Appl Mech Eng 199: 828–840. doi: 10.1016/j.cma.2009.06.019 MathSciNetMATHCrossRefGoogle Scholar
- 24.Hughes T, Mallet M (1986) A new finite element formulation for computational fluid dynamics: IV a discontinuity-capturing operator for multidimensional advective-diffusive systems. Comput Methods Appl Mech Eng 58(3): 329–336MathSciNetMATHCrossRefGoogle Scholar
- 25.Hughes TJR, Franca LP, Balestra M (1986) A new finite element formulation for computational fluid dynamics: V. Circumventing the Babuška–Brezzi condition: a stable Petrov–Galerkin formulation of the Stokes problem accommodating equal-order interpolations. Comput Methods Appl Mech Eng 59: 85–99MathSciNetMATHCrossRefGoogle Scholar
- 26.Hughes TJR, Mallet M, Mizukami A (1986) A new finite element formulation for computational fluid dynamics: II. Beyond SUPG. Comput Methods Appl Mech Eng 54: 341–355MathSciNetMATHCrossRefGoogle Scholar
- 27.Hughes TJR, Tezduyar TE (1984) Finite element methods for first-order hyperbolic systems with particular emphasis on the compressible Euler equations. Comput Methods Appl Mech Eng 45: 217–284. doi: 10.1016/0045-7825(84)90157-9 MathSciNetMATHCrossRefGoogle Scholar
- 28.Hunter R (2001) Foundations of colloid science, 2nd edn. Oxford University Press, OxfordGoogle Scholar
- 29.Karniadakis G, Beşkök A, Aluru N (2005) Microflows and nanoflows: fundamentals and simulation. Springer, New YorkMATHGoogle Scholar
- 30.Kler P (2010) Modeling and simulation of microfluidic chips for analytical applications. Ph.D thesis, UNIVERSIDAD NACIONAL DEL LITORALGoogle Scholar
- 31.Kler P, Berli C, Guarnieri F (2011) Modeling and high performance simulation of electrophoretic techniques in microfluidic chips. Microfluid Nanofluid 10(1): 187–198CrossRefGoogle Scholar
- 32.Kler PA, López EJ, Dalcín LD, Guarnieri FA, Storti MA (2009) High performance simulations of electrokinetic flow and transport in microfluidic chips. Comput Methods Appl Mech Eng 198(30–32): 2360–2367MATHCrossRefGoogle Scholar
- 33.Li D (2004) Electrokinetics in microfluidics. Elsevier Academic Press, LondonGoogle Scholar
- 34.MacInnes JM (2002) Computation of reacting electrokinetic flow in microchannel geometries. Chem Eng Sci 57(21): 4539–4558CrossRefGoogle Scholar
- 35.Park YJ, Deans HA, Tezduyar TE (1990) Finite element formulation for transport equations in a mixed coordinate system: an application to determine temperature effects on the single-well chemical tracer test. Int J Numer Methods Fluids 11: 769–790. doi: 10.1002/fld.1650110605 CrossRefGoogle Scholar
- 36.Park YJ, Deans HA, Tezduyar TE (1991) Thermal effects on single-well chemical tracer tests for measuring residual oil saturation. Soc Petroleum Eng Form Eval 190: 401–408. doi: 10.2118/19683-PA Google Scholar
- 37.Patankar N, Hu H (1998) Numerical simulation of electroosmotic flow. Anal Chem 70(9): 1870–1881CrossRefGoogle Scholar
- 38.Peng Y, Pallandre A, Tran NT, Taverna M (2008) Recent innovations in protein separation on microchips by electrophoretic methods. Electrophoresis 29(1): 157–178CrossRefGoogle Scholar
- 39.Probstein R (2003) Physicochemical hydrodynamics. An Introduction, 2nd edn. Wiley-Interscience, New YorkGoogle Scholar
- 40.Rispoli F, Corsini A, Tezduyar TE (2007) Finite element computation of turbulent flows with the discontinuity-capturing directional dissipation (DCDD). Comput Fluids 36: 121–126. doi: 10.1016/j.compfluid.2005.07.004 MATHCrossRefGoogle Scholar
- 41.Rispoli F, Saavedra R, Corsini A, Tezduyar TE (2007) Computation of inviscid compressible flows with the V-SGS stabilization and YZβ shock-capturing. Int J Numer Methods Fluids 54: 695–706. doi: 10.1002/fld.1447 MathSciNetMATHCrossRefGoogle Scholar
- 42.Rispoli F, Saavedra R, Menichini F, Tezduyar TE (2009) Computation of inviscid supersonic flows around cylinders and spheres with the V-SGS stabilization and YZβ shock-capturing. J Appl Mech 76: 021209. doi: 10.1115/1.3057496 CrossRefGoogle Scholar
- 43.Saville D, Palusinski O (1986) Theory of electrophoretic separations. Part I: formulation of a mathematical model. AIChE J 32(2): 207–214CrossRefGoogle Scholar
- 44.Schönfeld F, Hessel V, Hofmann C (2004) An optimised split-and-recombine micro-mixer with uniform ‘chaotic’ mixing. Lab Chip 4(1): 65–69CrossRefGoogle Scholar
- 45.Shim J, Dutta P, Ivory C (2007) Modeling and simulation of IEF in 2-D microgeometries. Electrophoresis 28: 572–586CrossRefGoogle Scholar
- 46.Sounart TL, Baygents JC (2007) Lubrication theory for electro-osmotic flow in a non-uniform electrolyte. J Fluid Mech 576: 139–172MathSciNetMATHCrossRefGoogle Scholar
- 47.Takizawa K, Tezduyar TE (2011) Multiscale space–time fluid–structure interaction techniques. Comput Mech 48: 247–267. doi: 10.1007/s00466-011-0571-z MathSciNetMATHCrossRefGoogle Scholar
- 48.Tezduyar TE (1992) Stabilized finite element formulations for incompressible flow computations. Adv Appl Mech 28: 1–44. doi: 10.1016/S0065-2156(08)70153-4 MathSciNetMATHCrossRefGoogle Scholar
- 49.Tezduyar TE (2003) Computation of moving boundaries and interfaces and stabilization parameters. Int J Numer Methods Fluids 43: 555–575. doi: 10.1002/fld.505 MathSciNetMATHCrossRefGoogle Scholar
- 50.Tezduyar TE (2004) Finite element methods for fluid dynamics with moving boundaries and interfaces. In: Stein E, Borst RD, Hughes TJR (eds) Encyclopedia of computational mechanics, vol 3: Fluids, chap. 17. Wiley, New YorkGoogle Scholar
- 51.Tezduyar TE, Behr M, Liou J (1992) A new strategy for finite element computations involving moving boundaries and interfaces—the deforming-spatial-domain/space–time procedure: I. The concept and the preliminary numerical tests. Comput Methods Appl Mech Eng 94(3): 339–351. doi: 10.1016/0045-7825(92)90059-S MathSciNetMATHCrossRefGoogle Scholar
- 52.Tezduyar TE, Behr M, Mittal S, Liou J (1992) A new strategy for finite element computations involving moving boundaries and interfaces – the deforming-spatial-domain/space–time procedure: II. Computation of free-surface flows, two-liquid flows, and flows with drifting cylinders. Comput Methods Appl Mech Eng 94(3): 353–371. doi: 10.1016/0045-7825(92)90060-W MathSciNetMATHCrossRefGoogle Scholar
- 53.Tezduyar TE, Mittal S, Ray SE, Shih R (1992) Incompressible flow computations with stabilized bilinear and linear equal-order-interpolation velocity-pressure elements. Comput Methods Appl Mech Eng 95: 221–242. doi: 10.1016/0045-7825(92)90141-6 MATHCrossRefGoogle Scholar
- 54.Tezduyar TE, Osawa Y (2000) Finite element stabilization parameters computed from element matrices and vectors. Comput Methods Appl Mech Eng 190: 411–430. doi: 10.1016/S0045-7825(00)00211-5 MATHCrossRefGoogle Scholar
- 55.Tezduyar TE, Park YJ (1986) Discontinuity capturing finite element formulations for nonlinear convection-diffusion-reaction equations. Comput Methods Appl Mech Eng 59: 307–325. doi: 10.1016/0045-7825(86)90003-4 MATHCrossRefGoogle Scholar
- 56.Tezduyar TE, Park YJ, Deans HA (1987) Finite element procedures for time-dependent convection-diffusion-reaction systems. Int J Numer Methods Fluids 7: 1013–1033. doi: 10.1002/fld.1650071003 MATHCrossRefGoogle Scholar
- 57.Tezduyar TE, Ramakrishnan S, Sathe S (2008) Stabilized formulations for incompressible flows with thermal coupling. Int J Numer Methods Fluids 57: 1189–1209. doi: 10.1002/fld.1743 MathSciNetMATHCrossRefGoogle Scholar
- 58.Tezduyar TE, Sathe S (2007) Modeling of fluid–structure interactions with the space–time finite elements: solution techniques. Int J Numer Methods Fluids 54: 855–900. doi: 10.1002/fld.1430 MathSciNetMATHCrossRefGoogle Scholar
- 59.Tezduyar TE, Senga M (2006) Stabilization and shock-capturing parameters in SUPG formulation of compressible flows. Comput Methods Appl Mech Eng 195: 1621–1632. doi: 10.1016/j.cma.2005.05.032 MathSciNetMATHCrossRefGoogle Scholar
- 60.Tezduyar TE, Senga M (2007) SUPG finite element computation of inviscid supersonic flows with YZβ shock-capturing. Comput Fluids 36: 147–159. doi: 10.1016/j.compfluid.2005.07.009 MATHCrossRefGoogle Scholar
- 61.Tezduyar TE, Senga M, Vicker D (2006) Computation of inviscid supersonic flows around cylinders and spheres with the SUPG formulation and YZβ shock-capturing. Comput Mech 38: 469–481. doi: 10.1007/s00466-005-0025-6 MATHCrossRefGoogle Scholar
- 62.Thormann W, Caslavska J, Mosher R (2007) Modeling of electroosmotic and electrophoretic mobilization in capillary and microchip isoelectric focusing. J Chromatogr A 1155(2): 154–163CrossRefGoogle Scholar
- 63.Tsai WB, Hsieh CJ, Chieng CC (2005) Parallel computation of electroosmotic flow in L-shaped microchannels. In: 6th world congress of structural and multidisciplinary optimization, pp 4971–4980Google Scholar
- 64.Wu D, Qin J, Lin B (2008) Electrophoretic separations on microfluidic chips. J Chromatogr A 1184(1–2): 542–559Google Scholar