Molecular-dynamics simulation of amphiphilic bilayer membranes and wormlike micelles: A multi-scale modelling approach to the design of viscoelastic surfactant solutions

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 362, Issue 1821, 2004, Pages 1625-1638

  Boek, E S ^a   Den Otter, W K ^b   Briels, W J ^b   Iakovlev, D ^a,c  

^a SCHLUMBERGER CAMBRIDGE RESEARCH   (United Kingdom)

^b UNIVERSITY OF TWENTE   (Netherlands)

^c ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Bending rigidity; MD simulation; Membrane; Viscoelastic surfactant; Wormlike micelle

Indexed keywords

EID: 3843111019     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2004.1399     Document Type: Conference Paper

References (19)

1. Ben-Shaul, A. & Gelbart, W. M. 1994 In Micelles, membranes, microemulsions and monolayers (ed. W. M. Gelbart, A. Ben-Shaul & D. Roux), ch. 1. Springer.
2. Berendsen, H. J. C., Postma, J. P. M., van Gunsteren, W. F. & Hermans, J. 1981 In Intermolecular forces (ed. B. Pullman). Dordrecht: Reidel.
3. Berendsen, H. J. C., van der Spoel, D. & van Drunen, R. 1995 Computat. Phys. Commun. 91, 43-56.
4. Boek, E. S., Jusufi, A., Loewen, H. & Maitland, G. C. 2002 J. Phys. Condens. Matter 14, 9413-9430.
5. Boek, E. S., Chin, J. & Coveney, P. V. 2003 Int. J. Mod. Phys. B 17, 99-102.
6. Boek, E. S., den Otter, W. K. & Briels, W. J. 2004 Mechanical properties of atomistic surfactant bilayer membranes from molecular dynamics simulations by mapping on a coarse grained amphiphile model. (Submitted.)
7. Gates, M. E. 1988 J. Phys. France 49, 1593.
8. den Otter, W. K. & Briels, W. J. 2003 J. Chem. Phys. 118, 4712.
9. den Otter, W. K., Shkulipa, S. A. & Briels, W. J. 2003 J. Chem. Phys. 119, 2363.
10. Essman, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H. & Pedersen, L. G. 1995 J. Chem. Phys. 103, 8577-8592.
11. Goetz, R., Gompper, G. & Lipowsky, R. 1999 Phys. Rev. Lett. 82, 221.
12. Lindahl, E. & Edholm, O. 2000 J. Chem. Phys. 113, 3882.
13. Lindahl, E., Hess, B. & van der Spoel, D. 2001 J. Mol. Model. 7, 306-317.
14. Magid, L. J. 1998 J. Phys. Chem. B 102, 4064-4074.
15. Marrink, S. J. & Mark, A. E. 2001 J. Phys. Chem. B 105, 6122.
16. Miyamoto, S. & Kollman, P. A. 1992 J. Comput. Chem. 13, 952-962.
17. Raghavan, S. R. & Kaler, E. W. 2001 Langmuir 17, 300.
18. Rehage, H. & Hoffmann, H. 1991 Molec. Phys. 74, 933-973.
19. Smith, W. & Forester, T. 1996 J. Mol. Graphics 14, 136.