Computer simulations of surfactants at a liquid/liquid interface

作者: B. Smit , P. A. J. Hilbers , K. Esselink

DOI: 10.1007/978-94-011-2540-6_25

关键词: MoleculePulmonary surfactantChemical structureMonolayerPhase (matter)Materials scienceSurface tensionLiquid liquidMicelleChemical engineering

摘要: In these notes a simple oil/water/surfactant model is presented. This contains only the most obvious elements: oil and water do not mix surfactant molecule of which one end ‘ikes’ but ‘dislikes’ other dislikes likes water. Computer simulations have been performed to study effects changes in chemical structure surfactants on various interfacial properties. Simulations large system show surprisingly rich structural detail. Micelles are formed spontaneously phase monolayer at interface.

参考文章(36)
P. Tarazona, U. Marini Bettolo Marconi, R. Evans, Phase equilibria of fluid interfaces and confined fluids Molecular Physics. ,vol. 60, pp. 573- 595 ,(1987) , 10.1080/00268978700100381
B. Widom, Lattice-gas model of amphiphiles and of their orientation at interfaces The Journal of Physical Chemistry. ,vol. 88, pp. 6508- 6514 ,(1984) , 10.1021/J150670A012
B. Smit, P. A. J. Hilbers, K. Esselink, L. A. M. Rupert, N. M. van Os, A. G. Schlijper, Computer simulations of a water/oil interface in the presence of micelles Nature. ,vol. 348, pp. 624- 625 ,(1990) , 10.1038/348624A0
J.P.R.B. Walton, D.J. Tildesley, J.S. Rowlinson, J.R. Henderson, The pressure tensor at the planar surface of a liquid Molecular Physics. ,vol. 48, pp. 1357- 1368 ,(1983) , 10.1080/00268978300100971
E. M. Lee, E. A. Simister, R. K. Thomas, J. Penfold, The structure of surfaces of surfactant solutions above the critical micelle concentration Le Journal De Physique Colloques. ,vol. 50, pp. 99- 103 ,(1989) , 10.1007/BFB0118246
P. van der Ploeg, H.J.C. Berendsen, MOLECULAR-DYNAMICS OF A BILAYER-MEMBRANE Molecular Physics. ,vol. 49, pp. 233- 248 ,(1983) , 10.1080/00268978300101131
E. M. Lee, R. K. Thomas, J. Penfold, R. C. Ward, Structure of aqueous decyltrimethylammonium bromide solutions at the air water interface studied by the specular reflection of neutrons The Journal of Physical Chemistry. ,vol. 93, pp. 381- 388 ,(1989) , 10.1021/J100338A073
A. H. Beesley, D. F. Evans, R. G. Laughlin, Evidence for the essential role of hydrogen bonding in promoting amphiphilic self-assembly: measurements in 3-methylsydnone The Journal of Physical Chemistry. ,vol. 92, pp. 791- 793 ,(1988) , 10.1021/J100314A039
S. Karaborni, J. P. O'Connell, Molecular dynamics simulations of model micelles. 4. Effects of chain length and head group characteristics The Journal of Physical Chemistry. ,vol. 94, pp. 2624- 2631 ,(1990) , 10.1021/J100369A073