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Study of Nanoscale Pressure-Driven Electrokinetic Flow with Effects of Wall Lattice Plane

Published online by Cambridge University Press:  05 May 2011

T.-H. Yen ,
C.-Y. Soong  and
P.-Y. Tzeng
T.-H. Yen*
Affiliation:
Department of Electrical Engineering, Chinese Naval Academy Zuoying, Kaohsiung, Taiwan 81300, R.O.C.
C.-Y. Soong*
Affiliation:
Department of Aerospace and Systems Engineering, Feng Chia University Seatwen, Taichung, Taiwan 40724, R.O.C.
P.-Y. Tzeng*
Affiliation:
Department of Mechatronic, Energy and Aeronspace Engineering, Chung Cheng Institute of Technology, National Defense University, Tahsi, Taoyuan, Taiwan 33509, R.O.C.
*
*Assistant Professor
**Professor, corresponding author
***Professor
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Abstract

The objective of the present study is to explore pressure-driven flows with the presence of electric double layer (EDL) in nanochannels of various wall lattice planes. Three face-centered cubic (fcc) lattice planes, i.e. fcc(111), fcc(100), and fcc(110), of the channel wall are considered. The structure of diffuse EDL and electrokinetic flow characteristics are dealt with in an atomistic view. Fluid and charge density layering phenomena and their influences on the Stern layer are investigated with the molecular dynamic simulation results. In most of the simulations, a monatomic molecule, W, is used as the solvent model and the charged particles W+ and W− of the same size as the ions. To examine behaviors of the dissimilar particles, a simulation with the aqueous model W for fluid, Na+ for cation and Cl− for anion is also performed. Effects of ion concentrations, wall-fluid interaction energy, and surface charge density on the electro-hydrodynamics are studied. In addition, based on the continuum theory, two analytic expressions for zeta potential with the presence of fluid slippage are derived and analyzed. The present results disclose interesting physics about the influences of wall lattice-fluid interactions, which are significant in further understanding and applications of the nanoscale electrokinetic flows.

Keywords

NanofluidicsMolecular dynamics simulationElectrokinetic flowElectric double layerLattice plane.
Type
Articles
Information
Journal of Mechanics , Volume 25 , Issue 4 , December 2009 , pp. 363 - 378
Copyright
Copyright © The Society of Theoretical and Applied Mechanics, R.O.C. 2009

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References

REFERENCES

1.Lauga, E., Brenner, M. P. and Stone, J. A., “Microfluidics: The No-Slip Boundary Condition,” Handbook of Experimental Fluid Dynamics, Ch. 15, Editors Foss, J., Tropea, C. and Yarin, A., Springer, New York (2005).Google Scholar
2.Heinbuch, U. and Fischer, J., “Liquid Flow in Pores: Slip, No-Slip, or Multilayer Sticking,” Phys. Rev. A, 40, pp. 1144–1146 (1989).CrossRefGoogle Scholar
3.Thompson, P. A. and Robbins, M. O., “Shear Flow near Solids: Epitaxial Order and Flow Boundary Conditions,” Phys. Rev. A, 41, pp. 6380–6386 (1990).CrossRefGoogle Scholar
4.Guo, Z., Zhao, T. S. and Shi, Y., “Temperature Dependence of the Velocity Boundary Condition for Nanoscale Fluid Flows,” Phys. Rev. E, 72, 036301 (2005).Google Scholar
5.Galea, T. M. and Attard, P., “Molecular Dynamics Study of the Effect of Atomic Roughness on the Slip Length at the Fluid-Solid Boundary During Shear Flow,” Langmuir, 20, pp. 3477–3482 (2004).CrossRefGoogle Scholar
6.Thompson, P. A. and Troian, S. M., “A General Boundary Condition for Liquid Flow at Solid Surface,” Nature, 389, pp. 360–362 (1997).CrossRefGoogle Scholar
7.Soong, C. Y., Wang, S. H. and Tzeng, P. Y., “Molecular Dynamics Simulation of Rotating Fluids in Cylindrical Containers,” Phys. Fluids, 16, pp. 2814–2827 (2004).CrossRefGoogle Scholar
8.Barrat, J. L. and Bocquet, L., “Large Slip Effect at a Nonwetting Fluid-Solid Interface,” Phys Rev. Lett., 82, pp. 4671–4674 (1999).CrossRefGoogle Scholar
9.Soong, C. Y., Yen, T. H. and Tzeng, P. Y., “Molecular Dynamics Simulation of Nanochannel Flows with Effects of Wall Lattice-Fluid Interactions,” Phys. Rev. E, 76, 036303 (2007).Google Scholar
10.Spohr, E., “Molecular Simulation of the Electrochemical Double Layer,” Electrochimica Acta, 44, pp. 1697–1705 (1999).Google Scholar
11.Spohr, E., “Molecular Dynamics Simulations of Water and Ion Dynamics in the Electrochemical Double Layer,” Solid State Ionics, 150, pp. 1–12 (2002).CrossRefGoogle Scholar
12.Freund, J. B., “Electro-Osmosis in a Nonometer-Scale Channel Studied by Atomistic Simulation,” J. Chem. Phys., 116, pp. 2194–2200 (2002).Google Scholar
13.Zhou, J. D., Cui, S. T. and Cochran, H. D., “Molecular Simulation of Aqueous Electrolytes in Model Silica Nanochannels,” Molecular Phys., 101, pp. 1089–1094 (2003).CrossRefGoogle Scholar
14.Qian, R. and Aluru, N. R., “Scaling of Electrokinetic Transport in Nanometer Channels,” Langmuir, 21, pp. 8972–8977 (2005).Google Scholar
15.Kim, D. and Darve, E., “Molecular Dynamics Simulation of Electro-Osmotic Flows in Rough Wall Nanochannels,” Phys Rev E, 73, 051203 (2006).Google Scholar
16.Thompson, A. P., “Nonequilibrum Molecular Dynamics Simulation of Electro-osmotic Flow in a Charged Nanopore,” J. Chem. Phys., 119, pp. 7503–7511 (2003).CrossRefGoogle Scholar
17.Cui, S. T. and Cochran, H. D., “Electroosmotic Flow in Nanoscale Parallel-plate Channels: Molecular Simulation Study and Comparison with Classical Poisson-Boltzmann Theory,” Mol. Simulat., 30, pp. 259–266 (2004).CrossRefGoogle Scholar
18.Joly, L., Ybert, C., Trizac, E. and Bocquet, L., “Hydrodynamics Within the Electric Double Layer on Slipping Surfaces,” Phys. Rev. Lett., 93, 257805 (2004).CrossRefGoogle Scholar
19.Joly, L., Ybert, C., Trizac, E. and Bocquet, L., “Liquid Friction on Charged Surface: From Hydrodynamic Slippage to Electrokinetics,” J. Chem. Phys., 125, 204716 (2006).Google Scholar
20.Zhu, W., Singer, S. J., Zheng, Z. and Conlisk, A. T., “Electro-osmotic Flow of a Model Electrolyte,” Phys. Rev.E, 71, 041501 (2005).CrossRefGoogle Scholar
21.Frenkel, D. and Smit, B., Understanding Molecular Simulation, Academic Press, NY, USA (1996).Google Scholar
22.Maitland, G. C., Rigby, M., Smith, E. B. and Wakeham, W. A., Intermolecular Forces, Clarendon, Oxford, UK (1981).Google Scholar
23.Evans, D. J. and Holian, B. L., “The Nose-Hoover Thermostat,” J. Chem. Phys., 83, pp. 4069–4074 (1985).CrossRefGoogle Scholar
24.Vannitsem, S. and Mareschal, M., “Molecular Dynamics Simulations of Passive Transport in Two-Dimensional Rayleigh-Benard Convection,” Phys. Rev. E, 51, pp. 5564–5570 (1995).Google Scholar
25.Israelachvili, J. N., Intermolecular and Surface Forces, Academic Press, NY, USA (1992).Google Scholar
26.Soong, C. Y. and Wang, S. H., “Theoretical Analysis of Electrokinetic Flow and Heat Transfer in a Microchannel under Asymmetric Boundary Conditions,” J. Colloid Interface Sci., 256, pp. 202–213 (2003).Google Scholar
27.Behrens, S. B. and Grier, D. G., “The Charge of Glass and Silica Surfaces,” J. Chem. Phys., 115, pp. 6716–6721 (2001).Google Scholar
28.Churaev, N. V., Ralston, J., Sergeeva, I. P. and Sobloev, V. D., “Eletrokinetic Properties of Methylated Quartz Capillaries,” Adv. Colloid Interface Science, 96, pp. 265–278 (2002).Google Scholar