Mesoscopic solvent simulations: Multiparticle-collision dynamics of three-dimensional flows

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 66, Issue 3, 2002, Pages

  Allahyarov, E ^a   Gompper, G ^a  

^a FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIELECTRIC MATERIALS; FREE ENERGY; FUNCTIONS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION;

DIRECT CORRELATION FUNCTIONS; ORNSTEIN-ZERNIKE (OZ) EQUATION; POLAR SOLVENT; SOLVATION FREE ENERGY;

SOLVENTS;

ARTICLE;

EID: 37649031657     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.66.036702     Document Type: Article

References (23)

1. P. Pincus, in Structure and Dynamics of Strongly Interacting Colloids and Supramolecular Aggregates in Solution, Vol. 369 of NATO Advanced Study Institute, Series C: Mathematical and Physical Sciences, edited by S. -H. Chen, J. S. Huang, and P. Tartaglia, (Kluwer Academic, Dordrecht, 1992).
2. E. Allahyarov and H. Löwen, Phys. Rev. E 63, 041403 (2001).
3. F. Otto and G.N. Patey, Phys. Rev. E 60, 4416 (1999);
4. F. OttoG.N. PateyJ. Chem. Phys. 112, 8939 (2000).
5. M. Kinoshita, S. Iba, and M. Harada, J. Chem. Phys. 105, 2487 (1996).
6. S. Marcelja, Colloids Surf., A 129-130, 321 (1997).
7. S. Marcelja, Langmuir 16, 6081 (2000).
8. V. Kralj-Iglic and A. Iglic, J. Phys. II 6, 477 (1996);
9. I. Borukhov, D. Andelman, and H. Orland, Phys. Rev. Lett. 79, 435 (1997);
10. E. Trizac and J.-L. Raimbault, Phys. Rev. E 60, 6530 (1999).
11. G.R. McNamara and G. Zanetti, Phys. Rev. Lett. 61, 2332 (1988);
12. F.J. Higuera and J. Jimenez, Europhys. Lett. 9, 663 (1989).
13. E.S. Boek, P.V. Conveney, H.N.W. Lekkerkerker, and P. van der Schoot, Phys. Rev. E 55, 3124 (1997);
14. I. Pagonabarraga, M.H.J. Hagen, and D. Frenkel, Europhys. Lett. 42, 377 (1998).
15. A. Malevanets and R. Kapral, J. Chem. Phys. 110, 8605 (1999).
16. A. Malevanets and R. Kapral, J. Chem. Phys. 112, 7260 (2000).
17. A. Lamura, G. Gompper, T. Ihle, and D.M. Kroll, Europhys. Lett. 56, 319 (2001).
18. T. Ihle and D.M. Kroll, Phys. Rev. E 63, 020201(R) (2001).
19. It is also used to be called “no-slip” or “stick” boundary conditions. Due to this condition, the velocity of a particle which hits the wall is totally reversed.
20. Statistical Mechanics of Nonequilibrium Liquids, edited by D. Jeans and G. P. Morriss (Academic Press, London, 1990).
21. In order to keep the system temperature constant during the simulation time, a velocity scaling procedure is applied to the relative particle velocities (Formula presented) (Formula presented)
22. S. Taneda, Rep. Res. Inst. Appl. Mech. (Kyushu Univ.) 4, 99 (1956).
23. Viscous Flows, edited by S. W. Churchill, Butterworths series in chemical engineering Vol. 1 (Butterworth, Stoneham, 1988).