Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations
Martin Lísal, Carol K. Hall, Keith E. Gubbins, Athanassios Z. Panagiotopoulos
Chemical & Biological Engineering
Princeton Center for Theoretical Science
Princeton Institute for Computational Science and Engineering
Princeton Institute for the Science and Technology of Materials
Self-assembly of surfactants in a supercritical solvent and micellar solubilization was studied using Monte Carlo simulation on a modified version of Larson's lattice model. Carbon dioxide and perfluoroalkylpoly(ethylene oxide) were used as prototypes for the solvent and surfactant, respectively. The ability of the surfactant solutions to dissolve more solute than solutions without surfactants was also discussed by calculating the partition coefficient.
Journal of Chemical Physics
Published - Jan 15 2002
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Monte Carlo Method Chemical Compounds 100%
self assembly Physics & Astronomy 99%
surfactants Physics & Astronomy 90%
Surfactant Chemical Compounds 64%
Solvent Chemical Compounds 44%
simulation Physics & Astronomy 36%
Lattice Model Chemical Compounds 33%
ethylene oxide Physics & Astronomy 29%
Lísal, M., Hall, C. K., Gubbins, K. E., & Panagiotopoulos, A. Z. (2002). Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations. Journal of Chemical Physics, 116(3), 1171-1184. https://doi.org/10.1063/1.1428347
Lísal, Martin ; Hall, Carol K. ; Gubbins, Keith E. et al. / Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations. In: Journal of Chemical Physics. 2002 ; Vol. 116, No. 3. pp. 1171-1184.
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title = "Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations",
abstract = "Self-assembly of surfactants in a supercritical solvent and micellar solubilization was studied using Monte Carlo simulation on a modified version of Larson's lattice model. Carbon dioxide and perfluoroalkylpoly(ethylene oxide) were used as prototypes for the solvent and surfactant, respectively. The ability of the surfactant solutions to dissolve more solute than solutions without surfactants was also discussed by calculating the partition coefficient.",
author = "Martin L{\'i}sal and Hall, {Carol K.} and Gubbins, {Keith E.} and Panagiotopoulos, {Athanassios Z.}",
doi = "10.1063/1.1428347",
journal = "Journal of Chemical Physics",
publisher = "American Institute of Physics Publising LLC",
Lísal, M, Hall, CK, Gubbins, KE & Panagiotopoulos, AZ 2002, 'Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations', Journal of Chemical Physics, vol. 116, no. 3, pp. 1171-1184. https://doi.org/10.1063/1.1428347
Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations. / Lísal, Martin; Hall, Carol K.; Gubbins, Keith E. et al.
In: Journal of Chemical Physics, Vol. 116, No. 3, 15.01.2002, p. 1171-1184.
T1 - Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations
AU - Lísal, Martin
AU - Hall, Carol K.
AU - Gubbins, Keith E.
AU - Panagiotopoulos, Athanassios Z.
N2 - Self-assembly of surfactants in a supercritical solvent and micellar solubilization was studied using Monte Carlo simulation on a modified version of Larson's lattice model. Carbon dioxide and perfluoroalkylpoly(ethylene oxide) were used as prototypes for the solvent and surfactant, respectively. The ability of the surfactant solutions to dissolve more solute than solutions without surfactants was also discussed by calculating the partition coefficient.
AB - Self-assembly of surfactants in a supercritical solvent and micellar solubilization was studied using Monte Carlo simulation on a modified version of Larson's lattice model. Carbon dioxide and perfluoroalkylpoly(ethylene oxide) were used as prototypes for the solvent and surfactant, respectively. The ability of the surfactant solutions to dissolve more solute than solutions without surfactants was also discussed by calculating the partition coefficient.
U2 - 10.1063/1.1428347
DO - 10.1063/1.1428347
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations. Journal of Chemical Physics. 2002 Jan 15;116(3):1171-1184. doi: 10.1063/1.1428347