About: Micellar Behavior in Supercritical Solvent-Surfactant Systems from Lattice Monte Carlo Simulations.

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About: Micellar Behavior in Supercritical Solvent-Surfactant Systems from Lattice Monte Carlo Simulations. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We modify LarsonŽs lattice model [J. Chem. Phys. 83 (1985) 2411] and use it to study micellar behavior in supercritical solventůsurfactant systems by large-scale Monte Carlo (MC) simulations. Carbon dioxide and perfluoroalkylpoly( ethylene oxide) serve as prototypes for the solvent and surfactant, respectively. Larson-model type parameters for carbon dioxide and perfluoroalkylpoly(ethylene oxide) are obtained using experimental values for critical parameters and solubility along with a modified Berthelot mixing rule. We perform canonical MC simulations at a supercritical temperature varying the structure of the surfactant, the solvent density and the surfactant concentration. Various properties such as the critical micelle concentration, the overlap concentration, the aggregate size distribution, and the size and shape of the micelles are calculated. The implications of these results for the thermodynamics of micellar formation in supercritical solvents are examined. We modify LarsonŽs lattice model [J. Chem. Phys. 83 (1985) 2411] and use it to study micellar behavior in supercritical solventůsurfactant systems by large-scale Monte Carlo (MC) simulations. Carbon dioxide and perfluoroalkylpoly( ethylene oxide) serve as prototypes for the solvent and surfactant, respectively. Larson-model type parameters for carbon dioxide and perfluoroalkylpoly(ethylene oxide) are obtained using experimental values for critical parameters and solubility along with a modified Berthelot mixing rule. We perform canonical MC simulations at a supercritical temperature varying the structure of the surfactant, the solvent density and the surfactant concentration. Various properties such as the critical micelle concentration, the overlap concentration, the aggregate size distribution, and the size and shape of the micelles are calculated. The implications of these results for the thermodynamics of micellar formation in supercritical solvents are examined. (en)
Title	Micellar Behavior in Supercritical Solvent-Surfactant Systems from Lattice Monte Carlo Simulations. Micellar Behavior in Supercritical Solvent-Surfactant Systems from Lattice Monte Carlo Simulations. (en)
skos:prefLabel	Micellar Behavior in Supercritical Solvent-Surfactant Systems from Lattice Monte Carlo Simulations. Micellar Behavior in Supercritical Solvent-Surfactant Systems from Lattice Monte Carlo Simulations. (en)
skos:notation	RIV/67985858:_____/02:27020233!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	233;247
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/00/0600), P(GA203/02/0805), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	N/A
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Lísal, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	653337
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/02:27020233
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Monte Carlo; simulation; surfactant (en)
http://linked.open.../riv/klicoveSlovo	simulation Monte Carlo surfactant
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[4DF43748EB74]
http://linked.open...i/riv/nazevZdroje	Fluid Phase Equilibria
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular Modeling of Supercritical Carbon Dioxide-Surfactant-Solute Systems Description of thermodynamics properties of fluids at superambient conditions by the methods of applied statistical mechanics
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	194-197
http://linked.open...iv/tvurceVysledku	Lísal, Martin Gubbins, K. E. Hall, C. K. Panagiotopoulos, A. Z.
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0378-3812
number of pages	15 (xsd:int)

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