Thermodynamics of two-dimensional cluster formation at the water/air interface. A quantum chemical approach

Y. B. Vysotsky; V. S. Bryantsev; V. B. Fainerman; D. Vollhardt; R. Miller

Thermodynamics of two-dimensional cluster formation at the water/air interface. A quantum chemical approach

Y. B. Vysotsky, V. S. Bryantsev, V. B. Fainerman, D. Vollhardt, R. Miller

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

10 Scopus citations

Abstract

In the framework of the parametric method 3 quantum chemical approximation reasonable values are obtained for the thermodynamic characteristics of the cluster formation for the fatty alcohol series C_nH_2n+1OH (n = 8-16) with various structures at the air/water interface. The calculated values of the enthalpy, the entropy and the Gibbs energy for the formation of a definite cluster structure can be satisfactorily represented by a linear dependence on the number of CH₂ groups in the alcohol molecule. The data obtained from the surface pressure-area isotherms are in qualitative, and for the Gibbs energy also in quantitative, agreement with the results of the quantum chemical calculations.

Original language	English
Pages (from-to)	72-75
Number of pages	4
Journal	Progress in Colloid and Polymer Science
Volume	121
State	Published - 2002
Externally published	Yes

Keywords

Long-chain alcohols
Quantum chemical calculations
Surface thermodynamics
Two-dimensional clusterisation

Cite this

@article{4aa9eadf116e420fa1ee2e78f5f3ebed,

title = "Thermodynamics of two-dimensional cluster formation at the water/air interface. A quantum chemical approach",

abstract = "In the framework of the parametric method 3 quantum chemical approximation reasonable values are obtained for the thermodynamic characteristics of the cluster formation for the fatty alcohol series CnH2n+1OH (n = 8-16) with various structures at the air/water interface. The calculated values of the enthalpy, the entropy and the Gibbs energy for the formation of a definite cluster structure can be satisfactorily represented by a linear dependence on the number of CH2 groups in the alcohol molecule. The data obtained from the surface pressure-area isotherms are in qualitative, and for the Gibbs energy also in quantitative, agreement with the results of the quantum chemical calculations.",

keywords = "Long-chain alcohols, Quantum chemical calculations, Surface thermodynamics, Two-dimensional clusterisation",

author = "Vysotsky, {Y. B.} and Bryantsev, {V. S.} and Fainerman, {V. B.} and D. Vollhardt and R. Miller",

year = "2002",

language = "English",

volume = "121",

pages = "72--75",

journal = "Progress in Colloid and Polymer Science",

issn = "0340-255X",

}

TY - JOUR

T1 - Thermodynamics of two-dimensional cluster formation at the water/air interface. A quantum chemical approach

AU - Vysotsky, Y. B.

AU - Bryantsev, V. S.

AU - Fainerman, V. B.

AU - Vollhardt, D.

AU - Miller, R.

PY - 2002

Y1 - 2002

N2 - In the framework of the parametric method 3 quantum chemical approximation reasonable values are obtained for the thermodynamic characteristics of the cluster formation for the fatty alcohol series CnH2n+1OH (n = 8-16) with various structures at the air/water interface. The calculated values of the enthalpy, the entropy and the Gibbs energy for the formation of a definite cluster structure can be satisfactorily represented by a linear dependence on the number of CH2 groups in the alcohol molecule. The data obtained from the surface pressure-area isotherms are in qualitative, and for the Gibbs energy also in quantitative, agreement with the results of the quantum chemical calculations.

AB - In the framework of the parametric method 3 quantum chemical approximation reasonable values are obtained for the thermodynamic characteristics of the cluster formation for the fatty alcohol series CnH2n+1OH (n = 8-16) with various structures at the air/water interface. The calculated values of the enthalpy, the entropy and the Gibbs energy for the formation of a definite cluster structure can be satisfactorily represented by a linear dependence on the number of CH2 groups in the alcohol molecule. The data obtained from the surface pressure-area isotherms are in qualitative, and for the Gibbs energy also in quantitative, agreement with the results of the quantum chemical calculations.

KW - Long-chain alcohols

KW - Quantum chemical calculations

KW - Surface thermodynamics

KW - Two-dimensional clusterisation

UR - http://www.scopus.com/inward/record.url?scp=0036955118&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0036955118

SN - 0340-255X

VL - 121

SP - 72

EP - 75

JO - Progress in Colloid and Polymer Science

JF - Progress in Colloid and Polymer Science

ER -

Thermodynamics of two-dimensional cluster formation at the water/air interface. A quantum chemical approach

Abstract

Keywords

Other files and links

Fingerprint

Cite this