Self-consistent description of electrokinetic phenomena in particle-based simulations

Hernández-Ortiz, Juan P.; de Pablo, Juan J.

doi:10.1063/1.4923342

Title: Self-consistent description of electrokinetic phenomena in particle-based simulations

Journal Article · Thu Jul 02 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4923342· OSTI ID:1352852

^[1]; de Pablo, Juan J. ^[2]

Univ. Nacional de Colombia, Medellin (Colombia); Univ. of Chicago, IL (United States); Univ. of Wisconsin, Madison, WI (United States)
Univ. of Chicago, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

A new computational method is presented for study suspensions of charged particles undergoing fluctuating hydrodynamic and electrostatic interactions. The proposed model is appropriate for polymers, proteins, and porous particles embedded in a continuum electrolyte. A self-consistent Langevin description of the particles is adopted in which hydrodynamic and electrostatic interactions are included through a Green's function formalism. An Ewald-like split is adopted in order to satisfy arbitrary boundary conditions for the Stokeslet and Poisson Green functions, thereby providing a formalism that is applicable to any geometry and that can be extended to deformable objects. The convection-diffusion equation for the continuum ions is solved simultaneously considering Nernst-Planck diffusion. In conclusion, the method can be applied to systems at equilibrium and far from equilibrium. Its applicability is demonstrated in the context of electrokinetic motion, where it is shown that the ionic clouds associated with individual particles can be severely altered by the flow and concentration, leading to intriguing cooperative effects.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Institutes of Health (NIH); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-06CH11357; HG000225

OSTI ID:: 1352852

Alternate ID(s):: OSTI ID: 1228653

Journal Information:: Journal of Chemical Physics, Vol. 143, Issue 1; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 6 works

Citation information provided by
Web of Science

References (82)

Flow-induced migration of polymers in dilute solution Usta, O. Berk; Butler, Jason E.; Ladd, Anthony J. C. Physics of Fluids, Vol. 18, Issue 3 https://doi.org/10.1063/1.2186591	journal	March 2006
Stokesian Dynamics Brady, J. F.; Bossis, G. Annual Review of Fluid Mechanics, Vol. 20, Issue 1 https://doi.org/10.1146/annurev.fl.20.010188.000551	journal	January 1988
Segregation by membrane rigidity in flowing binary suspensions of elastic capsules Kumar, Amit; Graham, Michael D. Physical Review E, Vol. 84, Issue 6 https://doi.org/10.1103/PhysRevE.84.066316	journal	December 2011
Hydrodynamic interactions in a suspension of spherical particles Ladd, Anthony J. C. The Journal of Chemical Physics, Vol. 88, Issue 8 https://doi.org/10.1063/1.454658	journal	April 1988
Direct simulation of flowing colloidal dispersions by smoothed profile method Nakayama, Yasuya; Kim, Kang; Yamamoto, Ryoichi Advanced Powder Technology, Vol. 21, Issue 2 https://doi.org/10.1016/j.apt.2009.11.011	journal	March 2010
Implicit algorithm for Brownian dynamics of polymers Fixman, Marshall Macromolecules, Vol. 19, Issue 4 https://doi.org/10.1021/ma00158a042	journal	July 1986
Construction of Langevin forces in the simulation of hydrodynamic interaction Fixman, Marshall Macromolecules, Vol. 19, Issue 4 https://doi.org/10.1021/ma00158a043	journal	July 1986
Brownian motion of rod-shaped colloidal particles surrounded by electrical double layers Schumacher, Gerhard A.; van de Ven, Theo G. M. Journal of the Chemical Society, Faraday Transactions, Vol. 87, Issue 7 https://doi.org/10.1039/ft9918700971	journal	January 1991
Electrostatic contributions to protein-protein interactions: Fast energetic filters for docking and their physical basis Norel, Raquel; Sheinerman, Felix; Petrey, Donald Protein Science, Vol. 10, Issue 11 https://doi.org/10.1110/ps.12901	journal	November 2001
Concerted diffusion of lipids in raft-like membranes Apajalahti, Touko; Niemelä, Perttu; Govindan, Praveen Nedumpully Faraday Discuss., Vol. 144 https://doi.org/10.1039/B901487J	journal	January 2010
Fast Computation of Many-Particle Hydrodynamic and Electrostatic Interactions in a Confined Geometry Hernández-Ortiz, Juan P.; de Pablo, Juan J.; Graham, Michael D. Physical Review Letters, Vol. 98, Issue 14 https://doi.org/10.1103/PhysRevLett.98.140602	journal	April 2007
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation Groot, Robert D.; Warren, Patrick B. The Journal of Chemical Physics, Vol. 107, Issue 11 https://doi.org/10.1063/1.474784	journal	September 1997
Cross-stream-line migration in confined flowing polymer solutions: Theory and simulation Hernández-Ortiz, Juan P.; Ma, Hongbo; de Pablo, Juan J. Physics of Fluids, Vol. 18, Issue 12 https://doi.org/10.1063/1.2397571	journal	December 2006
The Membrane Potential and its Representation by a Constant Electric Field in Computer Simulations Roux, Benoît Biophysical Journal, Vol. 95, Issue 9 https://doi.org/10.1529/biophysj.108.136499	journal	November 2008
Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. II. Supramolecular diblock copolymers Lísal, Martin; Brennan, John K.; Smith, William R. The Journal of Chemical Physics, Vol. 130, Issue 10 https://doi.org/10.1063/1.3079139	journal	March 2009
Shear-induced migration in flowing polymer solutions: Simulation of long-chain DNA in microchannels Jendrejack, Richard M.; Schwartz, David C.; de Pablo, Juan J. The Journal of Chemical Physics, Vol. 120, Issue 5 https://doi.org/10.1063/1.1637331	journal	February 2004
Electrostatic Double-Layer Interaction between Two Charged Ion-Penetrable Spheres: An Exactly Solvable Model Ohshima, Hiroyuki; Kondo, Tamotsu Journal of Colloid and Interface Science, Vol. 155, Issue 2 https://doi.org/10.1006/jcis.1993.1064	journal	February 1993
Pair collisions of fluid-filled elastic capsules in shear flow: Effects of membrane properties and polymer additives Pranay, Pratik; Anekal, Samartha G.; Hernandez-Ortiz, Juan P. Physics of Fluids, Vol. 22, Issue 12 https://doi.org/10.1063/1.3524531	journal	December 2010
On the periodic fundamental solutions of the Stokes equations and their application to viscous flow past a cubic array of spheres Hasimoto, H. Journal of Fluid Mechanics, Vol. 5, Issue 02 https://doi.org/10.1017/S0022112059000222	journal	February 1959
Hydrodynamic interactions in long chain polymers: Application of the Chebyshev polynomial approximation in stochastic simulations Jendrejack, Richard M.; Graham, Michael D.; de Pablo, Juan J. The Journal of Chemical Physics, Vol. 113, Issue 7 https://doi.org/10.1063/1.1305884	journal	August 2000
Hydrodynamic interactions and Brownian forces in colloidal suspensions: Coarse-graining over time and length scales Padding, J. T.; Louis, A. A. Physical Review E, Vol. 74, Issue 3 https://doi.org/10.1103/PhysRevE.74.031402	journal	September 2006
The Fokker-Planck Equation Risken, Hannes Springer Series in Synergetics https://doi.org/10.1007/978-3-642-61544-3	book	January 1996
Electrophoretic Mobility of Soft Particles Ohshima, Hiroyuki Journal of Colloid and Interface Science, Vol. 163, Issue 2 https://doi.org/10.1006/jcis.1994.1126	journal	March 1994
Sedimentation of hard-sphere suspensions at low Reynolds number Nguyen, Nhan-Quyen; Ladd, Anthony J. C. Journal of Fluid Mechanics, Vol. 525 https://doi.org/10.1017/S0022112004002563	journal	January 1999
A method to resolve hydrodynamic interactions in colloidal dispersions Yamamoto, Ryoichi; Nakayama, Yasuya; Kim, Kang Computer Physics Communications, Vol. 169, Issue 1-3 https://doi.org/10.1016/j.cpc.2005.03.067	journal	July 2005
A smoothed profile method for simulating charged colloidal dispersions Kim, Kang; Nakayama, Yasuya; Yamamoto, Ryoichi Computer Physics Communications, Vol. 169, Issue 1-3 https://doi.org/10.1016/j.cpc.2005.03.024	journal	July 2005
Concentration dependence of shear and extensional rheology of polymer solutions: Brownian dynamics simulations Stoltz, Christopher; de Pablo, Juan J.; Graham, Michael D. Journal of Rheology, Vol. 50, Issue 2 https://doi.org/10.1122/1.2167468	journal	March 2006
The rheology of Brownian suspensions Bossis, G.; Brady, J. F. The Journal of Chemical Physics, Vol. 91, Issue 3 https://doi.org/10.1063/1.457091	journal	August 1989
Diffuse Double-Layer Interaction between Two Identical Spherical Colloidal Particles Ohshima, Hiroyuki Journal of Colloid and Interface Science, Vol. 225, Issue 1 https://doi.org/10.1006/jcis.2000.6746	journal	May 2000
Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. I. Polydispersed polymer systems Lísal, Martin; Brennan, John K.; Smith, William R. The Journal of Chemical Physics, Vol. 125, Issue 16 https://doi.org/10.1063/1.2359441	journal	October 2006
Stochastic simulations of DNA in flow: Dynamics and the effects of hydrodynamic interactions Jendrejack, Richard M.; de Pablo, Juan J.; Graham, Michael D. The Journal of Chemical Physics, Vol. 116, Issue 17 https://doi.org/10.1063/1.1466831	journal	May 2002
Electrophoretic Mobility of Spherical Colloidal Particles in Concentrated Suspensions Ohshima, Hiroyuki Journal of Colloid and Interface Science, Vol. 188, Issue 2 https://doi.org/10.1006/jcis.1997.4790	journal	April 1997
Lattice-Boltzmann simulations of the dynamics of polymer solutions in periodic and confined geometries Berk Usta, O.; Ladd, Anthony J. C.; Butler, Jason E. The Journal of Chemical Physics, Vol. 122, Issue 9 https://doi.org/10.1063/1.1854151	journal	March 2005
Presentation of Large DNA Molecules for Analysis as Nanoconfined Dumbbells Kounovsky-Shafer, Kristy L.; Hernández-Ortiz, Juan P.; Jo, Kyubong Macromolecules, Vol. 46, Issue 20 https://doi.org/10.1021/ma400926h	journal	October 2013
Electrostatic interaction between two spherical colloidal particles Ohshima, Hiroyuki Advances in Colloid and Interface Science, Vol. 53 https://doi.org/10.1016/0001-8686(94)00213-4	journal	September 1994
Accelerated Stokesian Dynamics simulations Sierou, Asimina; Brady, John F. Journal of Fluid Mechanics, Vol. 448 https://doi.org/10.1017/S0022112001005912	journal	November 2001
Ion Permeation and Selectivity of OmpF Porin: A Theoretical Study Based on Molecular Dynamics, Brownian Dynamics, and Continuum Electrodiffusion Theory Im, Wonpil; Roux, Benoı̂t Journal of Molecular Biology, Vol. 322, Issue 4 https://doi.org/10.1016/S0022-2836(02)00778-7	journal	September 2002
Electrostatic Potential around a Charged Colloidal Particle in an Electrolyte Solution with Ion Strong Coupling Uranagase, Masayuki; Taniguchi, Takashi; Yamamoto, Ryoichi Journal of the Physical Society of Japan, Vol. 81, Issue 2 https://doi.org/10.1143/JPSJ.81.024803	journal	February 2012
Hydrodynamic and electrokinetic effects on the dynamics of charged colloids and macromolecules Banchio, Adolfo J.; McPhie, Mathieu G.; Nägele, Gerhard Journal of Physics: Condensed Matter, Vol. 20, Issue 40 https://doi.org/10.1088/0953-8984/20/40/404213	journal	September 2008
Simulation of polymer dynamics. I. General theory Fixman, Marshall The Journal of Chemical Physics, Vol. 69, Issue 4 https://doi.org/10.1063/1.436725	journal	August 1978
On the electrophoretic mobility of biological cells Ohshima, Hiroyuki; Kondo, Tamotsu Biophysical Chemistry, Vol. 39, Issue 2 https://doi.org/10.1016/0301-4622(91)85021-H	journal	February 1991
Direct Numerical Simulations of Electrophoresis of Charged Colloids Kim, Kang; Nakayama, Yasuya; Yamamoto, Ryoichi Physical Review Letters, Vol. 96, Issue 20 https://doi.org/10.1103/PhysRevLett.96.208302	journal	May 2006
Hydrodynamic correlations in the translocation of a biopolymer through a nanopore: Theory and multiscale simulations Fyta, Maria; Melchionna, Simone; Succi, Sauro Physical Review E, Vol. 78, Issue 3 https://doi.org/10.1103/PhysRevE.78.036704	journal	September 2008
Lattice-Boltzmann Simulations of Particle-Fluid Suspensions Ladd, A. J. C.; Verberg, R. Journal of Statistical Physics, Vol. 104, Issue 5/6, p. 1191-1251 https://doi.org/10.1023/A:1010414013942	journal	January 2001
Dipole-induced self-assembly of helical β-peptides Miller, Clark A.; Hernández-Ortiz, Juan P.; Abbott, Nicholas L. The Journal of Chemical Physics, Vol. 129, Issue 1 https://doi.org/10.1063/1.2928700	journal	July 2008
Modeling a tethered polymer in Poiseuille flow Webster, M. A.; Yeomans, J. M. The Journal of Chemical Physics, Vol. 122, Issue 16 https://doi.org/10.1063/1.1884105	journal	April 2005
Accelerated boundary integral method for multiphase flow in non-periodic geometries Kumar, Amit; Graham, Michael D. Journal of Computational Physics, Vol. 231, Issue 20 https://doi.org/10.1016/j.jcp.2012.05.035	journal	August 2012
Statistical Mechanics of Dissipative Particle Dynamics Español, P.; Warren, P. Europhysics Letters (EPL), Vol. 30, Issue 4 https://doi.org/10.1209/0295-5075/30/4/001	journal	May 1995
Electrostatic Interactions between Colloidal Particles – Analytic Approximation Ohshima, Hiroyuki Colloid Stability https://doi.org/10.1002/9783527631193.ch3	book	July 2010
Nonequilibrium Simulations of Lamellae Forming Block Copolymers under Steady Shear: A Comparison of Dissipative Particle Dynamics and Brownian Dynamics Peters, Brandon L.; Ramírez-Hernández, Abelardo; Pike, Darin Q. Macromolecules, Vol. 45, Issue 19 https://doi.org/10.1021/ma301541f	journal	September 2012
Large scale and mesoscopic hydrodynamics for dissipative particle dynamics Ripoll, M.; Ernst, M. H.; Español, P. The Journal of Chemical Physics, Vol. 115, Issue 15 https://doi.org/10.1063/1.1402989	journal	October 2001
Simulation method to resolve hydrodynamic interactions in colloidal dispersions Nakayama, Yasuya; Yamamoto, Ryoichi Physical Review E, Vol. 71, Issue 3 https://doi.org/10.1103/PhysRevE.71.036707	journal	March 2005
Accelerated Stokesian dynamics: Brownian motion Banchio, Adolfo J.; Brady, John F. The Journal of Chemical Physics, Vol. 118, Issue 22 https://doi.org/10.1063/1.1571819	journal	June 2003
Electrostatic Control of the Membrane Targeting of C2 Domains Murray, Diana; Honig, Barry Molecular Cell, Vol. 9, Issue 1 https://doi.org/10.1016/S1097-2765(01)00426-9	journal	January 2002
Ewald summation techniques in perspective: a survey Toukmaji, Abdulnour Y.; Board, John A. Computer Physics Communications, Vol. 95, Issue 2-3 https://doi.org/10.1016/0010-4655(96)00016-1	journal	June 1996
Microchannel flow of a macromolecular suspension Fan, Xijun; Phan-Thien, Nhan; Yong, Ng Teng Physics of Fluids, Vol. 15, Issue 1 https://doi.org/10.1063/1.1522750	journal	January 2003
Extending the Applicability of the Nonlinear Poisson−Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions ^† Rocchia, W.; Alexov, E.; Honig, B. The Journal of Physical Chemistry B, Vol. 105, Issue 28 https://doi.org/10.1021/jp010454y	journal	July 2001
Electrostatic Interaction between Two Dissimilar Spheres with Constant Surface Charge Density Ohshima, Hiroyuki Journal of Colloid and Interface Science, Vol. 170, Issue 2 https://doi.org/10.1006/jcis.1995.1122	journal	March 1995
Simulation of a single polymer chain in solution by combining lattice Boltzmann and molecular dynamics Ahlrichs, Patrick; Dünweg, Burkhard The Journal of Chemical Physics, Vol. 111, Issue 17 https://doi.org/10.1063/1.480156	journal	November 1999
Effect of confinement on DNA dynamics in microfluidic devices Jendrejack, Richard M.; Schwartz, David C.; Graham, Michael D. The Journal of Chemical Physics, Vol. 119, Issue 2 https://doi.org/10.1063/1.1575200	journal	July 2003
Multiscale Coupling of Molecular Dynamics and Hydrodynamics: Application to DNA Translocation through a Nanopore Fyta, Maria G.; Melchionna, Simone; Kaxiras, Efthimios Multiscale Modeling & Simulation, Vol. 5, Issue 4 https://doi.org/10.1137/060660576	journal	January 2006
Modeling DNA in Confinement: A Comparison between the Brownian Dynamics and Lattice Boltzmann Method Chen, Y. -L.; Ma, H.; Graham, M. D. Macromolecules, Vol. 40, Issue 16 https://doi.org/10.1021/ma070729t	journal	August 2007
Hydrodynamic effects on the translocation rate of a polymer through a pore Hernández-Ortiz, Juan P.; Chopra, Manan; Geier, Stephanie The Journal of Chemical Physics, Vol. 131, Issue 4 https://doi.org/10.1063/1.3184798	journal	July 2009
The effect of hydrodynamic interactions on the dynamics of DNA translocation through pores Izmitli, Aslin; Schwartz, David C.; Graham, Michael D. The Journal of Chemical Physics, Vol. 128, Issue 8 https://doi.org/10.1063/1.2831777	journal	February 2008
Modeling electrokinetic flows by the smoothed profile method Luo, Xian; Beskok, Ali; Karniadakis, George Em Journal of Computational Physics, Vol. 229, Issue 10 https://doi.org/10.1016/j.jcp.2010.01.030	journal	May 2010
Electrophoretic mobility of a “soft particle” with a nonuniformly charged surface layer as a model for cells Ohshima, Hiroyuki; Kondo, Tamotsu Biophysical Chemistry, Vol. 46, Issue 2 https://doi.org/10.1016/0301-4622(93)85021-9	journal	April 1993
Electrorheology in nanopores via lattice Boltzmann simulation Melchionna, Simone; Succi, Sauro The Journal of Chemical Physics, Vol. 120, Issue 9 https://doi.org/10.1063/1.1644107	journal	March 2004
On the Role of Electrostatic Interactions in the Design of Protein–Protein Interfaces Sheinerman, Felix B.; Honig, Barry Journal of Molecular Biology, Vol. 318, Issue 1 https://doi.org/10.1016/S0022-2836(02)00030-X	journal	April 2002
Electrophoresis of soft particles Ohshima, Hiroyuki Advances in Colloid and Interface Science, Vol. 62, Issue 2-3 https://doi.org/10.1016/0001-8686(95)00279-Y	journal	December 1995
Electrophoretic mobility of a particle covered with a partially ion-penetrable polyelectrolyte layer Ohshima, Hiroyuki; Makino, Kimiko Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 109 https://doi.org/10.1016/0927-7757(95)03452-8	journal	April 1996
Particle-Based Methods for Multiscale Modeling of Blood Flow in the Circulation and in Devices: Challenges and Future Directions: Sixth International Bio-Fluid Mechanics Symposium and Workshop March 28–30, 2008 Pasadena, California Yamaguchi, Takami; Ishikawa, Takuji; Imai, Y. Annals of Biomedical Engineering, Vol. 38, Issue 3 https://doi.org/10.1007/s10439-010-9904-x	journal	January 2010
Dynamic simulation of hydrodynamically interacting suspensions Brady, John F.; Phillips, Ronald J.; Lester, Julia C. Journal of Fluid Mechanics, Vol. 195, Issue -1 https://doi.org/10.1017/S0022112088002411	journal	October 1988
Self‐diffusion of Brownian particles in concentrated suspensions under shear Bossis, G.; Brady, J. F. The Journal of Chemical Physics, Vol. 87, Issue 9 https://doi.org/10.1063/1.453708	journal	November 1987
Transport and Collective Dynamics in Suspensions of Confined Swimming Particles Hernandez-Ortiz, Juan P.; Stoltz, Christopher G.; Graham, Michael D. Physical Review Letters, Vol. 95, Issue 20 https://doi.org/10.1103/PhysRevLett.95.204501	journal	November 2005
Poisson-Boltzmann Calculations of Nonspecific Salt Effects on Protein-Protein Binding Free Energies Bertonati, Claudia; Honig, Barry; Alexov, Emil Biophysical Journal, Vol. 92, Issue 6 https://doi.org/10.1529/biophysj.106.092122	journal	March 2007
Dynamic simulation of sheared suspensions. I. General method Bossis, G.; Brady, John F. The Journal of Chemical Physics, Vol. 80, Issue 10 https://doi.org/10.1063/1.446585	journal	May 1984
Computer simulations of Brownian motion of complex systems Grassia, P. S.; Hinch, E. J.; Nitsche, L. C. Journal of Fluid Mechanics, Vol. 282 https://doi.org/10.1017/S0022112095000176	journal	January 1995
Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects Rocchia, Walter; Sridharan, Sundaram; Nicholls, Anthony Journal of Computational Chemistry, Vol. 23, Issue 1 https://doi.org/10.1002/jcc.1161	journal	November 2001
Donnan potential and surface potential of a spherical soft particle in an electrolyte solution Ohshima, Hiroyuki Journal of Colloid and Interface Science, Vol. 323, Issue 1 https://doi.org/10.1016/j.jcis.2008.03.021	journal	July 2008
Electrolyte friction on non-spherical polyions Vizcarra-Rendón, A.; Medina-Noyola, M.; Klein, R. Chemical Physics Letters, Vol. 173, Issue 4 https://doi.org/10.1016/0009-2614(90)85291-J	journal	October 1990
Electrostatic and Lipid Anchor Contributions to the Interaction of Transducin with Membranes: MECHANISTIC IMPLICATIONS FOR ACTIVATION AND TRANSLOCATION Kosloff, Mickey; Alexov, Emil; Arshavsky, Vadim Y. Journal of Biological Chemistry, Vol. 283, Issue 45 https://doi.org/10.1074/jbc.M803799200	journal	September 2008
Mesoscopic simulation of the crossing dynamics at an entanglement point of surfactant threadlike micelles Yamamoto, Satoru; Hyodo, Shi-aki The Journal of Chemical Physics, Vol. 122, Issue 20 https://doi.org/10.1063/1.1914767	journal	May 2005

Cited By (2)

Structure and proton conduction in sulfonated poly(ether ether ketone) semi-permeable membranes: a multi-scale computational approach Molina, Jarol; de Pablo, Juan J.; Hernández-Ortiz, Juan P. Physical Chemistry Chemical Physics, Vol. 21, Issue 18 https://doi.org/10.1039/c9cp00598f	journal	January 2019
cDPD: A new dissipative particle dynamics method for modeling electrokinetic phenomena at the mesoscale Deng, Mingge; Li, Zhen; Borodin, Oleg The Journal of Chemical Physics, Vol. 145, Issue 14 https://doi.org/10.1063/1.4964628	journal	October 2016

Similar Records

cDPD: A new dissipative particle dynamics method for modeling electrokinetic phenomena at the mesoscale

Journal Article · Fri Oct 14 00:00:00 EDT 2016 · Journal of Chemical Physics · OSTI ID:1352852

Deng, Mingge; Li, Zhen; Borodin, Oleg; +1 more

Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

Journal Article · Thu Jun 29 00:00:00 EDT 2017 · Journal of Chemical Physics · OSTI ID:1352852

Zhao, Xujun; Li, Jiyuan; Jiang, Xikai; +5 more

Modeling electrokinetics in ionic liquids: General

Journal Article · Sat Apr 01 00:00:00 EDT 2017 · Electrophoresis · OSTI ID:1352852

Wang, Chao; Bao, Jie; Pan, Wenxiao; +1 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Electrokinetic phenomena
Proteins
Cooperative effect
Chemical bonding
Plasma properties and parameters
Electrophoresis
Computational methods
Brownian motion
Electrostatics
Electrolytes

Title: Self-consistent description of electrokinetic phenomena in particle-based simulations

Citation Formats

References (82)

Cited By (2)

Similar Records

Related Subjects