Nucleation in the presence of an amphiphile: A density functional approach

V. Talanquer; David W. Oxtoby

doi:10.1063/1.473461

Nucleation in the presence of an amphiphile: A density functional approach

V. Talanquer, David W. Oxtoby

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Abstract

Density functional theory is applied to the study of gas-to-liquid nucleation in binary and ternary mixtures with one amphiphilic component. The theory allows the evaluation of density profiles and molecular orientation distributions in the critical nucleus. The predicted cluster compositions for binary and ternary systems resemble qualitatively the experimental behavior for water-n-alcohol and water-n-butanol-n-nonane mixtures, respectively.

Original language	English (US)
Pages (from-to)	3673-3680
Number of pages	8
Journal	Journal of Chemical Physics
Volume	106
Issue number	9
DOIs	https://doi.org/10.1063/1.473461
State	Published - Mar 1 1997
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1063/1.473461

Cite this

@article{09978a6796774cb4949d042583fc44c7,

title = "Nucleation in the presence of an amphiphile: A density functional approach",

abstract = "Density functional theory is applied to the study of gas-to-liquid nucleation in binary and ternary mixtures with one amphiphilic component. The theory allows the evaluation of density profiles and molecular orientation distributions in the critical nucleus. The predicted cluster compositions for binary and ternary systems resemble qualitatively the experimental behavior for water-n-alcohol and water-n-butanol-n-nonane mixtures, respectively.",

author = "V. Talanquer and Oxtoby, {David W.}",

year = "1997",

month = mar,

day = "1",

doi = "10.1063/1.473461",

language = "English (US)",

volume = "106",

pages = "3673--3680",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "9",

}

TY - JOUR

T1 - Nucleation in the presence of an amphiphile

T2 - A density functional approach

AU - Talanquer, V.

AU - Oxtoby, David W.

PY - 1997/3/1

Y1 - 1997/3/1

N2 - Density functional theory is applied to the study of gas-to-liquid nucleation in binary and ternary mixtures with one amphiphilic component. The theory allows the evaluation of density profiles and molecular orientation distributions in the critical nucleus. The predicted cluster compositions for binary and ternary systems resemble qualitatively the experimental behavior for water-n-alcohol and water-n-butanol-n-nonane mixtures, respectively.

AB - Density functional theory is applied to the study of gas-to-liquid nucleation in binary and ternary mixtures with one amphiphilic component. The theory allows the evaluation of density profiles and molecular orientation distributions in the critical nucleus. The predicted cluster compositions for binary and ternary systems resemble qualitatively the experimental behavior for water-n-alcohol and water-n-butanol-n-nonane mixtures, respectively.

UR - http://www.scopus.com/inward/record.url?scp=0001200583&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001200583&partnerID=8YFLogxK

U2 - 10.1063/1.473461

DO - 10.1063/1.473461

M3 - Article

AN - SCOPUS:0001200583

SN - 0021-9606

VL - 106

SP - 3673

EP - 3680

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 9

ER -

Nucleation in the presence of an amphiphile: A density functional approach

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this