Poisson-Boltzmann Brownian dynamics of charged colloids in suspension

Computer Physics Communications

Volumn 159, Issue 2, 2004, Pages 73-92

  Dobnikar, J ^a   Halozan D ^b   Brumen, M ^b   Von Grunberg H H ^a   Rzehak, R ^c  

^a UNIVERSITY OF KONSTANZ   (Germany)

^b UNIVERSITY OF MARIBOR   (Slovenia)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

Brownian dynamics; Charge stabilized colloids; Poisson Boltzmann equation

Indexed keywords

APPROXIMATION THEORY; BROWNIAN MOVEMENT; COLLOIDS; COMPUTER SIMULATION; CONSTRAINT THEORY; DISSOCIATION; ELECTRIC POTENTIAL; PARTICLE SIZE ANALYSIS; POISSON EQUATION; PROTEINS; SALTS; SUSPENSIONS (FLUIDS); VOLUME FRACTION;

BROWNIAN DYNAMICS; CHARGE-STABILIZED COLLOIDS; MACROIONS; POISSON-BOLTZMANN EQUATIONS;

CHARGED PARTICLES;

EID: 2142807374     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2003.10.001     Document Type: Article

References (42)

1. Evans D.F., Wennerström H. The Colloidal Domain: Where Physics, Chemistry, Biology, and Technology Meet. 1994;VCH, Weinheim.
2. Safran S.A. Physics of Complex and Supermolecular Fluids. 1987;John Wiley, New York.
3. Daoud M. Soft Matter Physics. 1999;Springer, Heidelberg.
4. Carnie S.L., Torrie G.M. The statistical mechanics of electrical double layer. Adv. Chem. Phys. 56:1984;141.
5. Attard P. Electrolytes and the electric double layer. Adv. Chem. Phys. 92:1996;1.
6. Belloni L. Colloidal interactions. J. Phys. C. 12:2000;R549.
7. Likos C. Effective interactions in soft condensed matter physics. Phys. Rev. 348:2001;267.
8. Levin Y. Electrostatic correlations: from plasma to biology. Rep. Prog. Phys. 65:2002;1577.
9. Verwey E.J.W., Overbeek J.T.G. Theory of the Stability of Lyophobic Colloids. 1948;Elsevier, Amsterdam.
10. Bell G., Levine S., McCartney L. Approximate methods of determining the double-layer free energy of interaction between two charged colloidal spheres. J. Colloid Int. Sci. 33:1970;335.
11. Alexander S., Chainkin P.M., Grant P., Morales G.J., Pincus P. Charge renormalization, osmotic pressure, and bulk modulus of colloidal crystals. J. Chem. Phys. 80:1984;5776.
12. Belloni L. Ionic condensation and charge renormalization. Colloids and Surfaces A. 140:1998;227.
13. Broquet L., Trizac E., Aubouy M. Effective charge saturation in colloidal suspensions. J. Chem. Phys. 117:2002;8138.
14. Vlachy V. Ionic effects beyond Poisson-Boltzmann theory. Annu. Rev. Phys. Chem. 50:1999;145.
15. Lobaskin V., Linse P. Simulation of an asymmetric electrolyte with charge asymmetry 60:1 using hard-sphere and soft-sphere models. J. Chem. Phys. 111:1999;4300.
16. Reiner E.S., Radke C.J. Variational approach to the electrostatic free-energy in charged colloidal suspensions. J. Chem. Soc., Faraday Trans. 86:1990;3901.
17. Löwen H., Hansen J.-P., Madden P.A. Nonlinear counterion screening in colloidal suspensions. J. Chem. Phys. 98:1993;3275.
18. Netz R.R., Orland H. Beyond Poisson-Boltzmann: fluctuation effects and correlation functions. Eur. Phys. J. E. 1:2000;203.
19. Deserno M., Holm C. Cell model and Poisson-Boltzmann theory: A brief introduction. Holm C., Kekicheff P., Podgornik R. Electrostatic Effects in Soft Matter and Biophysics. 2001;27 Kluwer Academic, Dordrecht.
20. McQuarrie D.A. Statistical Mechanics. 1973;Harper & Row, New York.
21. Israelachvili J.N. Intermolecular and Surface Forces with Applications to Colloidal and Biological Systems. 1985;Academic Press, New York.
22. Groot R.G. Ion condensation on solid particles: theory and simulations. J. Chem. Phys. 95:1991;9191.
23. Löwen H., Kramposthuber G. Optimal effective pair potential for charged colloids. Europhys. Lett. 23:1993;673.
24. Andelman D. Electrostatic properties of membranes: The Poisson-Boltzmann theory. Lipowsky R., Sackmann E. Handbook of Biological Physics. vol. I:1995;Elsevier, Amsterdam. Ch. 12.
25. Deserno M., von Grünberg H.-H. Osmotic pressure of charged colloidal suspensions: a unified approach to linearized Poisson-Boltzmann theory. Phys. Rev. E. 66:2002;011401.
26. Tamashiro M.N., Schiessel H. Where the linearized Poisson-Boltzmann cell model fails I. cond-mat/0210245.
27. Fushiki M. Molecular dynamics simulations for charged colloidal dispersions. J. Chem. Phys. 97:1992;6700.
28. Gilson M.D., McCammon J.A., Madura J.D. Molecular dynamics simulation with a continuum electrostatic model of the solvent. J. Comp. Chem. 16:1995;1081.
29. Robbins M.O., Kremer K., Grest G. Phase diagram and dynamics of Yukawa systems. J. Chem. Phys. 88:1988;3286.
30. Dobnikar J., Rzehak R., von Grünberg H.-H. Effect of many-body interactions on the solid-liquid phase behavior of charge-stabilized colloidal suspensions. Europhys. Lett. 61:2003;695.
31. Dobnikar J., Chen Y., Rzehak R., von Grünberg H.-H. Many-body interactions in colloidal suspensions. J. Phys. C. 15:2003;263.
32. Yamanaka J., Yoshida H., Koga T., Ise N., Hashimoto T. Reentrant solid-liquid transition in ionic colloidal dispersions by varying particle charge density. Phys. Rev. Lett. 80:1998;5806.
33. Bell G.M., Levine S. Statistical thermodynamics of concentrated colloidal solutions II. Trans. Faraday Soc. 54:1958;785.
34. Müller H. Zur theorie der elektrischen ladung und der koagulation der kolloide. Kolloidchem. Beihefte. 26:1928;257.
35. Ortega J., Rheinboldt W.C. Iterative Solution of Nonlinear Equations in Several Variables. 1970;Academic Press, New York.
36. Kloeden P.E., Platen E. Numerical Solution of Stochastic Differential Equations. 1992;Springer, Heidelberg.
37. Öttinger H.C. Stochastic Processes in Polymeric Fluids. 1996;Springer, Heidelberg.
38. L. Belloni, private communication.
39. Dobnikar J., Rzehak R., Grünberg H.-H. von. Effect of many-body interactions on the melting of colloidal crystals. J. Chem. Phys. 2002;. submitted for publication.
40. Shyy W. Computational Techniques for Complex Transport Phenomena. 1997;Cambridge Univ. Press, Cambridge, UK.
41. Holst M.J., Saied F. Numerical solution of the nonlinear Poisson-Boltzmann equation: Developing more robust and efficient methods. J. Comp. Chem. 16:1995;337.
42. Smith B., Bjorstad P., Gropp W. Domain Decomposition. 1996;Cambridge Univ. Press, Cambridge, UK.