Phase behavior of a model surfactant-solvent system at intermediate and high densities

Flor R. Siperstein; Allan D. Mackie

doi:10.1016/j.colsurfa.2005.06.015

Phase behavior of a model surfactant-solvent system at intermediate and high densities

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Abstract

The phase behavior of a binary mixture containing a model surfactant and solvent was determined from lattice Monte Carlo simulations in the grand canonical ensemble using parallel tempering techniques. First and second derivatives of the free energy with respect to the chemical potential (in particular, the density and the isothermal compressibility) were calculated from the combined simulation results through histogram reweighting. Maximums in the isothermal compressibility and heat capacity are observed and it is possible to determine the order-disorder transition temperature; however, they cannot be used to indicate the formation of a hexagonal liquid crystal phase as surfactant concentration increases at constant temperature. © 2005 Elsevier B.V. All rights reserved.

Original language	English
Pages (from-to)	277-284
Number of pages	7
Journal	Colloids and Surfaces A: Physicochemical and Engineering Aspects
Volume	270-271
Issue number	1-3
DOIs	https://doi.org/10.1016/j.colsurfa.2005.06.015
Publication status	Published - 1 Dec 2005

Keywords

Heat capacity
Isothermal compressibility
Molecular simulation
Monte Carlo
Surfactant

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10.1016/j.colsurfa.2005.06.015

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title = "Phase behavior of a model surfactant-solvent system at intermediate and high densities",

abstract = "The phase behavior of a binary mixture containing a model surfactant and solvent was determined from lattice Monte Carlo simulations in the grand canonical ensemble using parallel tempering techniques. First and second derivatives of the free energy with respect to the chemical potential (in particular, the density and the isothermal compressibility) were calculated from the combined simulation results through histogram reweighting. Maximums in the isothermal compressibility and heat capacity are observed and it is possible to determine the order-disorder transition temperature; however, they cannot be used to indicate the formation of a hexagonal liquid crystal phase as surfactant concentration increases at constant temperature. {\textcopyright} 2005 Elsevier B.V. All rights reserved.",

keywords = "Heat capacity, Isothermal compressibility, Molecular simulation, Monte Carlo, Surfactant",

author = "Siperstein, {Flor R.} and Mackie, {Allan D.}",

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doi = "10.1016/j.colsurfa.2005.06.015",

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T1 - Phase behavior of a model surfactant-solvent system at intermediate and high densities

AU - Siperstein, Flor R.

AU - Mackie, Allan D.

PY - 2005/12/1

Y1 - 2005/12/1

N2 - The phase behavior of a binary mixture containing a model surfactant and solvent was determined from lattice Monte Carlo simulations in the grand canonical ensemble using parallel tempering techniques. First and second derivatives of the free energy with respect to the chemical potential (in particular, the density and the isothermal compressibility) were calculated from the combined simulation results through histogram reweighting. Maximums in the isothermal compressibility and heat capacity are observed and it is possible to determine the order-disorder transition temperature; however, they cannot be used to indicate the formation of a hexagonal liquid crystal phase as surfactant concentration increases at constant temperature. © 2005 Elsevier B.V. All rights reserved.

AB - The phase behavior of a binary mixture containing a model surfactant and solvent was determined from lattice Monte Carlo simulations in the grand canonical ensemble using parallel tempering techniques. First and second derivatives of the free energy with respect to the chemical potential (in particular, the density and the isothermal compressibility) were calculated from the combined simulation results through histogram reweighting. Maximums in the isothermal compressibility and heat capacity are observed and it is possible to determine the order-disorder transition temperature; however, they cannot be used to indicate the formation of a hexagonal liquid crystal phase as surfactant concentration increases at constant temperature. © 2005 Elsevier B.V. All rights reserved.

KW - Heat capacity

KW - Isothermal compressibility

KW - Molecular simulation

KW - Monte Carlo

KW - Surfactant

U2 - 10.1016/j.colsurfa.2005.06.015

DO - 10.1016/j.colsurfa.2005.06.015

M3 - Article

SN - 0927-7757

VL - 270-271

SP - 277

EP - 284

JO - Colloids and Surfaces A: Physicochemical and Engineering Aspects

JF - Colloids and Surfaces A: Physicochemical and Engineering Aspects

IS - 1-3

ER -

Phase behavior of a model surfactant-solvent system at intermediate and high densities

Abstract

Keywords

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