메뉴 건너뛰기




Volumn 229, Issue 20, 2010, Pages 7834-7847

Molecular simulations of electroosmotic flows in rough nanochannels

Author keywords

Electrokinetic transport; Electroosmotic flows; Molecular dynamics; Multi grid method; PPPM method

Indexed keywords

ELECTRODYNAMICS; ELECTROOSMOSIS; ITERATIVE METHODS; NANOFLUIDICS; NON NEWTONIAN FLOW; POISSON EQUATION;

EID: 77955511640     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2010.06.042     Document Type: Article
Times cited : (28)

References (46)
  • 1
    • 0025283002 scopus 로고
    • Electrostatic interactions in macromolecules: theory and applications
    • Sharp K.A., Honig B. Electrostatic interactions in macromolecules: theory and applications. Annu. Rev. Biophys. Biophys. Chem. 1990, 19:310-332.
    • (1990) Annu. Rev. Biophys. Biophys. Chem. , vol.19 , pp. 310-332
    • Sharp, K.A.1    Honig, B.2
  • 2
    • 0029016182 scopus 로고
    • Classical electrostatics in biology and chemistry
    • Honig B., Nicholls A. Classical electrostatics in biology and chemistry. Science 1995, 268:1144-1149.
    • (1995) Science , vol.268 , pp. 1144-1149
    • Honig, B.1    Nicholls, A.2
  • 3
    • 0032534516 scopus 로고    scopus 로고
    • Analysis of electrokinetic effects on liquid flow in rectangular microchannels
    • Yang C., Li D.Q. Analysis of electrokinetic effects on liquid flow in rectangular microchannels. Colloids Surf. A 1998, 143:339-353.
    • (1998) Colloids Surf. A , vol.143 , pp. 339-353
    • Yang, C.1    Li, D.Q.2
  • 4
    • 0035977311 scopus 로고    scopus 로고
    • Electro-viscous effects on pressure-driven liquid flow in microchannels
    • Li D.Q. Electro-viscous effects on pressure-driven liquid flow in microchannels. Colloids Surf. A 2001, 195:35-57.
    • (2001) Colloids Surf. A , vol.195 , pp. 35-57
    • Li, D.Q.1
  • 6
    • 0242385634 scopus 로고    scopus 로고
    • Electrokinetic transport through rough microchannels
    • Hu Y.D., Werner C., Li D.Q. Electrokinetic transport through rough microchannels. Anal. Chem. 2003, 75:5747-5758.
    • (2003) Anal. Chem. , vol.75 , pp. 5747-5758
    • Hu, Y.D.1    Werner, C.2    Li, D.Q.3
  • 7
    • 7944228412 scopus 로고    scopus 로고
    • Influence of the three-dimensional heterogeneous roughness on electrokinetic transport in microchannels
    • Hu Y.D., Werner C., Li D.Q. Influence of the three-dimensional heterogeneous roughness on electrokinetic transport in microchannels. J. Colloid Interf. Sci. 2004, 280:527-536.
    • (2004) J. Colloid Interf. Sci. , vol.280 , pp. 527-536
    • Hu, Y.D.1    Werner, C.2    Li, D.Q.3
  • 8
    • 30944464981 scopus 로고    scopus 로고
    • Lattice Boltzmann simulations of mixing enhancement by the electro-osmotic flow in microchannels
    • Wang J.K., Wang M., Li Z.X. Lattice Boltzmann simulations of mixing enhancement by the electro-osmotic flow in microchannels. Mod. Phys. Lett. B 2005, 19:1515-1518.
    • (2005) Mod. Phys. Lett. B , vol.19 , pp. 1515-1518
    • Wang, J.K.1    Wang, M.2    Li, Z.X.3
  • 9
    • 20844448624 scopus 로고    scopus 로고
    • A lattice Boltzmann algorithm for electro-osmotic flows in microfluidic devices
    • Guo Z.L., Zhao T.S., Shi Y. A lattice Boltzmann algorithm for electro-osmotic flows in microfluidic devices. J. Chem. Phys. 2005, 112(14):144907.
    • (2005) J. Chem. Phys. , vol.112 , Issue.14 , pp. 144907
    • Guo, Z.L.1    Zhao, T.S.2    Shi, Y.3
  • 10
    • 33644972098 scopus 로고    scopus 로고
    • Lattice Poisson-Boltzmann simulations of electro-osmotic flows in microchannels
    • Wang J.K., Wang M., Li Z.X. Lattice Poisson-Boltzmann simulations of electro-osmotic flows in microchannels. J. Colloid Interf. Sci. 2006, 296(2):729-736.
    • (2006) J. Colloid Interf. Sci. , vol.296 , Issue.2 , pp. 729-736
    • Wang, J.K.1    Wang, M.2    Li, Z.X.3
  • 11
    • 34548416145 scopus 로고    scopus 로고
    • Roughness and cavitations effects on electro-osmotic flows in rough microchannels using lattice Poisson-Boltzmann methods
    • Wang M., Wang J.K., Chen S.Y. Roughness and cavitations effects on electro-osmotic flows in rough microchannels using lattice Poisson-Boltzmann methods. J. Comput. Phys. 2007, 226:836-851.
    • (2007) J. Comput. Phys. , vol.226 , pp. 836-851
    • Wang, M.1    Wang, J.K.2    Chen, S.Y.3
  • 12
    • 0037426173 scopus 로고    scopus 로고
    • Ion concentrations and velocity profiles in nanochannel electroosmotic flows
    • Qiao R., Aluru N.R. Ion concentrations and velocity profiles in nanochannel electroosmotic flows. J. Chem. Phys. 2003, 118(10):4692-4701.
    • (2003) J. Chem. Phys. , vol.118 , Issue.10 , pp. 4692-4701
    • Qiao, R.1    Aluru, N.R.2
  • 13
    • 0142149097 scopus 로고    scopus 로고
    • Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore
    • Thompson A.P. Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore. J. Chem. Phys. 2003, 119(14):7503-7511.
    • (2003) J. Chem. Phys. , vol.119 , Issue.14 , pp. 7503-7511
    • Thompson, A.P.1
  • 14
    • 33646539438 scopus 로고    scopus 로고
    • Molecular dynamics simulation of electro-osmotic flows in rough wall nanochannels
    • Kim D., Darve E. Molecular dynamics simulation of electro-osmotic flows in rough wall nanochannels. Phys. Rev. E 2006, 73:051203.
    • (2006) Phys. Rev. E , vol.73 , pp. 051203
    • Kim, D.1    Darve, E.2
  • 15
    • 33947193604 scopus 로고    scopus 로고
    • Similarity of electroosmotic flows in nanochannels
    • Wang M., Liu J., Chen S.Y. Similarity of electroosmotic flows in nanochannels. Mol. Simul. 2007, 33:239-244.
    • (2007) Mol. Simul. , vol.33 , pp. 239-244
    • Wang, M.1    Liu, J.2    Chen, S.Y.3
  • 16
    • 36949012292 scopus 로고    scopus 로고
    • Electric potential distribution in nanoscale electroosmosis: from molecules to continuum
    • Wang M., Liu J., Chen S.Y. Electric potential distribution in nanoscale electroosmosis: from molecules to continuum. Mol. Simul. 2007, 33:1273-1277.
    • (2007) Mol. Simul. , vol.33 , pp. 1273-1277
    • Wang, M.1    Liu, J.2    Chen, S.Y.3
  • 17
    • 33947654393 scopus 로고    scopus 로고
    • Effects of molecular level surface roughness on electroosmotic flow
    • Qiao R. Effects of molecular level surface roughness on electroosmotic flow. Microfluid. Nanofluid. 2007, 3:33-38.
    • (2007) Microfluid. Nanofluid. , vol.3 , pp. 33-38
    • Qiao, R.1
  • 18
    • 0030163950 scopus 로고    scopus 로고
    • Ewald summation techniques in perspective: a survey
    • Toukmaji A.Y., Board J.A. Ewald summation techniques in perspective: a survey. Comput. Phys. Commun. 1996, 95:73-92.
    • (1996) Comput. Phys. Commun. , vol.95 , pp. 73-92
    • Toukmaji, A.Y.1    Board, J.A.2
  • 19
    • 84977266737 scopus 로고
    • Evaluation of optical and electrostatic lattice potentials
    • Ewald P. Evaluation of optical and electrostatic lattice potentials. Ann. Phys. 1921, 64:253-287.
    • (1921) Ann. Phys. , vol.64 , pp. 253-287
    • Ewald, P.1
  • 20
    • 33751046558 scopus 로고
    • An algorithm for simulation of condensed matter which grows as the 3/2 power of the number of particles
    • Perram J.W., Petersen H.G., de Leeuw S.W. An algorithm for simulation of condensed matter which grows as the 3/2 power of the number of particles. Mol. Phys. 1988, 65:875-889.
    • (1988) Mol. Phys. , vol.65 , pp. 875-889
    • Perram, J.W.1    Petersen, H.G.2    de Leeuw, S.W.3
  • 21
    • 33846823909 scopus 로고
    • Particle mesh Ewald: an N·log(N) method for Ewald sums in large systems
    • Darden T., York D., Pedersen L. Particle mesh Ewald: an N·log(N) method for Ewald sums in large systems. J. Chem. Phys. 1993, 98:10089-10092.
    • (1993) J. Chem. Phys. , vol.98 , pp. 10089-10092
    • Darden, T.1    York, D.2    Pedersen, L.3
  • 22
    • 0000396658 scopus 로고
    • A fast algorithm for particle simulations
    • Greengard L., Rokhlin V. A fast algorithm for particle simulations. J. Comput. Phys. 1987, 73:325-348.
    • (1987) J. Comput. Phys. , vol.73 , pp. 325-348
    • Greengard, L.1    Rokhlin, V.2
  • 23
    • 0030172529 scopus 로고    scopus 로고
    • 3M, FMM, and the Ewald method for large periodic Coulombic systems
    • 3M, FMM, and the Ewald method for large periodic Coulombic systems. Comput. Phys. Commun. 1996, 95:93-110.
    • (1996) Comput. Phys. Commun. , vol.95 , pp. 93-110
    • Pollock, E.L.1    Glosli, J.2
  • 24
    • 0001534005 scopus 로고    scopus 로고
    • An iterative PPPM method for simulating Coulombic systems on distributed memory parallel computers
    • Beckers J.V.L., Lowe C.P., de Leeuw S.W. An iterative PPPM method for simulating Coulombic systems on distributed memory parallel computers. Mol. Simul. 1998, 20:369-383.
    • (1998) Mol. Simul. , vol.20 , pp. 369-383
    • Beckers, J.V.L.1    Lowe, C.P.2    de Leeuw, S.W.3
  • 26
    • 0001490366 scopus 로고    scopus 로고
    • Calculating electrostatic interactions using the Particle-Particle Particle-Mesh method with nonperiodic long-range interactions
    • Luty B.A., van Gunsteren W.F. Calculating electrostatic interactions using the Particle-Particle Particle-Mesh method with nonperiodic long-range interactions. J. Phys. Chem. 1996, 100:2581-2587.
    • (1996) J. Phys. Chem. , vol.100 , pp. 2581-2587
    • Luty, B.A.1    van Gunsteren, W.F.2
  • 28
    • 5544254964 scopus 로고
    • Molecular dynamics simulation for polymers in the presence of a heat bath
    • Grest G.S., Kremer K. Molecular dynamics simulation for polymers in the presence of a heat bath. Phys. Rev. A 1986, 33:3628-3631.
    • (1986) Phys. Rev. A , vol.33 , pp. 3628-3631
    • Grest, G.S.1    Kremer, K.2
  • 29
    • 22944460220 scopus 로고    scopus 로고
    • Gaussian split Ewald: a fast Ewald mesh method for molecular simulation
    • 1-13
    • Shan Y., Klepeis J.L., Eastwood M.P., Dror R.O., Shaw D.E. Gaussian split Ewald: a fast Ewald mesh method for molecular simulation. J. Chem. Phys. 2005, 122:054101. 1-13.
    • (2005) J. Chem. Phys. , vol.122 , pp. 054101
    • Shan, Y.1    Klepeis, J.L.2    Eastwood, M.P.3    Dror, R.O.4    Shaw, D.E.5
  • 33
    • 0000570696 scopus 로고
    • Iterative methods by space decomposition and subspace correction
    • Xu J. Iterative methods by space decomposition and subspace correction. SIAM Rev. 1992, 34:581-613.
    • (1992) SIAM Rev. , vol.34 , pp. 581-613
    • Xu, J.1
  • 34
    • 33745637010 scopus 로고    scopus 로고
    • An algebraic multigrid method for higher-order finite element discretizations
    • Shu S., Sun D., Xu J. An algebraic multigrid method for higher-order finite element discretizations. Computing 2006, 77:347-377.
    • (2006) Computing , vol.77 , pp. 347-377
    • Shu, S.1    Sun, D.2    Xu, J.3
  • 35
    • 0000342845 scopus 로고
    • The electrostatic potential in the surface region of an ionic crystal
    • Parry D.E. The electrostatic potential in the surface region of an ionic crystal. Surf. Sci. 1975, 49:433-440.
    • (1975) Surf. Sci. , vol.49 , pp. 433-440
    • Parry, D.E.1
  • 36
    • 85047696757 scopus 로고    scopus 로고
    • Calculation of Coulomb interactions in two-dimensionally periodic systems
    • Liem S.Y., Clarke J.H.R. Calculation of Coulomb interactions in two-dimensionally periodic systems. Mol. Phys. 1997, 92:19-25.
    • (1997) Mol. Phys. , vol.92 , pp. 19-25
    • Liem, S.Y.1    Clarke, J.H.R.2
  • 37
    • 0031382827 scopus 로고    scopus 로고
    • A comparison of Ewald summation techniques for planar surfaces
    • Widmann A.H., Adolf D.B. A comparison of Ewald summation techniques for planar surfaces. Comput. Phys. Commun. 1997, 107:167-186.
    • (1997) Comput. Phys. Commun. , vol.107 , pp. 167-186
    • Widmann, A.H.1    Adolf, D.B.2
  • 38
    • 0001372160 scopus 로고    scopus 로고
    • Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions
    • Spohr E. Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions. J. Chem. Phys. 1997, 107:6342-6348.
    • (1997) J. Chem. Phys. , vol.107 , pp. 6342-6348
    • Spohr, E.1
  • 39
    • 0000202909 scopus 로고    scopus 로고
    • Ewald summation for systems with slab geometry
    • Yeh I., Berkowitz M.L. Ewald summation for systems with slab geometry. J. Chem. Phys. 1999, 111:3155-3162.
    • (1999) J. Chem. Phys. , vol.111 , pp. 3155-3162
    • Yeh, I.1    Berkowitz, M.L.2
  • 41
    • 1542350613 scopus 로고    scopus 로고
    • A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow
    • Nie X.B., Chen S.Y., E W., Robbins M.O. A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow. J. Fluid Mech. 2004, 500:55-64.
    • (2004) J. Fluid Mech. , vol.500 , pp. 55-64
    • Nie, X.B.1    Chen, S.Y.2    E, W.3    Robbins, M.O.4
  • 42
    • 35348910160 scopus 로고    scopus 로고
    • A continuum-atomistic simulation of heat transfer in micro- and nano-flows
    • Liu J., Chen S.Y., Nie X.B., Robbins M.O. A continuum-atomistic simulation of heat transfer in micro- and nano-flows. J. Comput. Phys. 2007, 227:279-291.
    • (2007) J. Comput. Phys. , vol.227 , pp. 279-291
    • Liu, J.1    Chen, S.Y.2    Nie, X.B.3    Robbins, M.O.4
  • 43
    • 0000701762 scopus 로고
    • Shear flow near solids: epitaxial order and flow boundary conditions
    • Thompson P.A., Robbins M.O. Shear flow near solids: epitaxial order and flow boundary conditions. Phys. Rev. A 1990, 41:6830-6837.
    • (1990) Phys. Rev. A , vol.41 , pp. 6830-6837
    • Thompson, P.A.1    Robbins, M.O.2
  • 44
    • 0030770171 scopus 로고    scopus 로고
    • A general boundary condition for liquid flow at solid surfaces
    • Thompson P.A., Troian S.M. A general boundary condition for liquid flow at solid surfaces. Nature 1997, 389:360-363.
    • (1997) Nature , vol.389 , pp. 360-363
    • Thompson, P.A.1    Troian, S.M.2
  • 45
    • 57949103880 scopus 로고    scopus 로고
    • A continuum-atomistic multi-timescale algorithm for micro/nano flows
    • Liu J., Chen S.Y., Nie X.B., Robbins M.O. A continuum-atomistic multi-timescale algorithm for micro/nano flows. Commun. Comput. Phys. 2008, 4:1279-1291.
    • (2008) Commun. Comput. Phys. , vol.4 , pp. 1279-1291
    • Liu, J.1    Chen, S.Y.2    Nie, X.B.3    Robbins, M.O.4
  • 46
    • 65249147728 scopus 로고    scopus 로고
    • Electrokinetic transport in microchannels with random roughness
    • Wang M., Kang Q. Electrokinetic transport in microchannels with random roughness. Anal. Chem. 2009, 81:2953-2961.
    • (2009) Anal. Chem. , vol.81 , pp. 2953-2961
    • Wang, M.1    Kang, Q.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.