Molecular modeling of surfactant covered oil-water interfaces: Dynamics, microstructure, and barrier for mass transport

Journal of Chemical Physics

Volumn 128, Issue 23, 2008, Pages

  Gupta, Ashish ^a   Chauhan, Anuj ^a   Kopelevich, Dmitry I ^a  

^a J Crayton Pruitt Family Department of Biomedical Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY LAYER FLOW; DYNAMICS; ENERGY BARRIERS; FREE ENERGY; LITHOGRAPHY; MASS TRANSFER; MICROEMULSIONS; MICROSTRUCTURE; MOLECULAR DYNAMICS; MONOLAYERS; NONIONIC SURFACTANTS; PARAFFINS; PERCOLATION (FLUIDS); PHASE INTERFACES; PORE STRUCTURE; QUANTUM CHEMISTRY; REUSABILITY; SENSITIVITY ANALYSIS; SOLUTE TRANSPORT; SOLVENTS; SURFACE ACTIVE AGENTS;

AMERICAN INSTITUTE OF PHYSICS (AIP); CHARACTERISTIC LENGTHS; COARSE-GRAINED MOLECULAR DYNAMICS SIMULATIONS; FREE ENERGY BARRIERS; HEXADECANE (HD); LENGTH SCALING; LOCAL DENSITY; MASS TRANSPORT; MODEL SYSTEMS; NON-IONIC; NUMEROUS APPLICATIONS; OIL/WATER INTERFACES; PERCOLATION THEORY; PICOSECOND TIME SCALE; SHORT TIME INTERVALS; STERIC REPULSIONS; SURFACTANT MONOLAYERS; TIME INTERVALS; TRANSIENT EVENTS; TRANSPORT MECHANISMS; WATER INTERFACES;

ELECTRON ENERGY LEVELS;

EID: 47249123772     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2939123     Document Type: Article

References (46)

1. S. P. Moulik and B. K. Paul, Adv. Colloid Interface Sci. 78, 99 (1998).
2. R. P. Bagwe, J. R. Kanicky, B. J. Palla, P. K. Patanjali, and D. O. Shah, Crit. Rev. Ther. Drug Carrier Syst. 18, 77 (2001).
3. Handbook of Microemulsion Science and Technology, edited by, P. Kumar, and, K. L. Mittal, (Dekker, New York, 1999).
4. T. F. Vandamme, Prog. Retin. Eye Res. 21, 15 (2002).
5. W. Mathers, Exp. Eye Res. 78, 389 (2004).
6. D. Gulsen and A. Chauhan, Invest. Ophthalmol. Visual Sci. 45, 2342 (2004).
7. D. Gulsen and A. Chauhan, Int. J. Pharm. 292, 95 (2005).
8. B. Smit, Phys. Rev. A 37, 3431 (1988).
9. B. Smit, A. G. Schlijper, L. A. M. Rupert, and N. M. van Os, J. Phys. Chem. 94, 6933 (1990).
10. A. R. van Buuren and H. J. C. Berendsen, Langmuir 10, 1703 (1994).
11. H. Kuhn and H. Rehage, Colloid Polym. Sci. 278, 114 (2000).
12. S. S. Jang, S.-T. Lin, P. K. Maiti, M. Blanco, W. A. Goddard III, P. Shuler, and Y. Tang, J. Phys. Chem. B 108, 12130 (2004).
13. M. La Rosa, A. Uhlherr, C. H. Schiesser, K. Moody, R. Bohun, and C. J. Drummond, Langmuir 20, 1375 (2004).
14. S. J. Marrink and H. J. C. Berendsen, J. Phys. Chem. 98, 4155 (1994).
15. S. J. Marrink, F. Jahnig, and H. J. C. Berendsen, Biophys. J. 71, 632 (1996).
16. S. J. Marrink and H. J. C. Berendsen, J. Phys. Chem. 100, 16729 (1996).
17. S. Paula, A. G. Volkov, A. N. V. Hoek, T. H. Haines, and D. W. Deamer, Biophys. J. 70, 339 (1996).
18. S. Paula, A. G. Volkov, and D. W. Deamer, Biophys. J. 74, 319 (1998).
19. R. M. Venable and R. W. Pastor, J. Chem. Phys. 116, 2663 (2002).
20. D. Zahn and J. Brickmann, Chem. Phys. Lett. 352, 441 (2002).
21. M. A. Wilson and A. Pohorille, J. Am. Chem. Soc. 118, 6580 (1996).
22. J. Ulander and A. D. J. Haymet, Biophys. J. 85, 3475 (2003).
23. S. J. Marrink, A. H. de Vries, and A. E. Mark, J. Phys. Chem. B 108, 750 (2004).
24. B. J. Palmer and J. Liu, Langmuir 12, 746 (1996).
25. R. Goetz and R. Lipowsky, J. Chem. Phys. 108, 7397 (1998).
26. J. C. Shelley, M. Y. Shelley, R. C. Reeder, S. Bandyopadhyay, and M. L. Klein, J. Phys. Chem. B 105, 4464 (2001).
27. S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005).
28. G. Mohan and D. I. Kopelevich, J. Chem. Phys. 128, in press (2008).
29. D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark, and H. J. C. Berendsen, J. Comput. Chem. 26, 1701 (2005).
30. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984).
31. P. Mukerjee and K. J. Mysels, Critical Micelle Concentrations of Aqueous Surfactant Systems, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. (US) Circ. No. 36 (U.S. GPO, Washington, D.C., 1971).
32. M. J. Rosen and D. S. Murphy, Langmuir 7, 2630 (1991).
33. T. L. Hill, An Introduction to Statistical Thermodynamics (Dover, New York, 1986).
34. M. J. Rosen, Surfactants and Interfacial Phenomena, 3rd ed. (Wiley, Hoboken, NJ, 2004).
35. S. G. Oh and D. O. Shah, J. Phys. Chem. 97, 284 (1993).
36. H. A. Patel, E. B. Nauman, and S. Garde, J. Chem. Phys. 119, 9199 (2003).
37. B. Roux and M. Karplus, J. Phys. Chem. 95, 4856 (1991).
38. J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23, 327 (1977).
39. A. Ben-Naim, Solvation Thermodynamics (Plenum, New York, 1987).
40. N. Matubayasi, K. K. Liang, and M. Nakahara, J. Chem. Phys. 124, 154908 (2006).
41. M. L. Greenfield and D. N. Theodorou, Macromolecules 26, 5461 (1993).
42. S. J. Marrink, R. M. Sok, and H. J. C. Berendsen, J. Chem. Phys. 104, 9090 (1996).
43. G. Grimmett, Percolation, 2nd ed. (Springer-Verlag, Berlin, 1999).
44. D. J. Barsky, G. R. Grimmett, and C. M. Newman, Probab. Theory Relat. Fields 90, 111 (1991).
45. C. Borgs, J. T. Chayes, R. van der Hofstad, G. Slade, and J. Spencer, Random Struct. Algorithms 27, 137 (2005).
46. W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics 14, 33 (1996).