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Dependence of the condensate chemical potential on droplet size in thermodynamics of heterogeneous nucleation within the gradient DFT. / Shchekin, Alexander K.; Lebedeva, Tatiana S.; Tatyanenko, Dmitry V.

в: Fluid Phase Equilibria, Том 424, 2016, стр. 162–172.

Результаты исследований: Научные публикации в периодических изданияхстатьяРецензирование

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@article{d75c073b7a5d40dea35000388f49d8b8,
title = "Dependence of the condensate chemical potential on droplet size in thermodynamics of heterogeneous nucleation within the gradient DFT",
abstract = "A scheme of computation of the condensate chemical potential per molecule as a function of the droplet equimolecular radius for stable and critical droplets on uncharged or charged spherical particle of molecular size at heterogeneous nucleation has been considered. The scheme is based of the gradient density functional theory (DFT) with the van der Waals (vdW) and Carnahan–Starling (СS) models for the hard-sphere contribution to intermolecular interaction in liquid and vapor phases and interfaces. The particle serving as a condensation center in the case of heterogeneous nucleation has been characterized by an attractive short-range molecular potential and the long-range electric Coulomb potential. The dielectric permittivities of the droplet–vapor systems have been taken as known functions of the local condensate density and temperature for polar and nonpolar fluids. Detailed numerical calculations of the density profiles in critical and stable equilibrium droplets at water or argon nucleation in presence o",
keywords = "Droplet, Nucleation, Density Functional, Electric Field, Molecular Field, Chemical Potential",
author = "Shchekin, {Alexander K.} and Lebedeva, {Tatiana S.} and Tatyanenko, {Dmitry V.}",
year = "2016",
doi = "10.1016/j.fluid.2016.02.025",
language = "English",
volume = "424",
pages = "162–172",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Dependence of the condensate chemical potential on droplet size in thermodynamics of heterogeneous nucleation within the gradient DFT

AU - Shchekin, Alexander K.

AU - Lebedeva, Tatiana S.

AU - Tatyanenko, Dmitry V.

PY - 2016

Y1 - 2016

N2 - A scheme of computation of the condensate chemical potential per molecule as a function of the droplet equimolecular radius for stable and critical droplets on uncharged or charged spherical particle of molecular size at heterogeneous nucleation has been considered. The scheme is based of the gradient density functional theory (DFT) with the van der Waals (vdW) and Carnahan–Starling (СS) models for the hard-sphere contribution to intermolecular interaction in liquid and vapor phases and interfaces. The particle serving as a condensation center in the case of heterogeneous nucleation has been characterized by an attractive short-range molecular potential and the long-range electric Coulomb potential. The dielectric permittivities of the droplet–vapor systems have been taken as known functions of the local condensate density and temperature for polar and nonpolar fluids. Detailed numerical calculations of the density profiles in critical and stable equilibrium droplets at water or argon nucleation in presence o

AB - A scheme of computation of the condensate chemical potential per molecule as a function of the droplet equimolecular radius for stable and critical droplets on uncharged or charged spherical particle of molecular size at heterogeneous nucleation has been considered. The scheme is based of the gradient density functional theory (DFT) with the van der Waals (vdW) and Carnahan–Starling (СS) models for the hard-sphere contribution to intermolecular interaction in liquid and vapor phases and interfaces. The particle serving as a condensation center in the case of heterogeneous nucleation has been characterized by an attractive short-range molecular potential and the long-range electric Coulomb potential. The dielectric permittivities of the droplet–vapor systems have been taken as known functions of the local condensate density and temperature for polar and nonpolar fluids. Detailed numerical calculations of the density profiles in critical and stable equilibrium droplets at water or argon nucleation in presence o

KW - Droplet

KW - Nucleation

KW - Density Functional

KW - Electric Field

KW - Molecular Field

KW - Chemical Potential

U2 - 10.1016/j.fluid.2016.02.025

DO - 10.1016/j.fluid.2016.02.025

M3 - Article

VL - 424

SP - 162

EP - 172

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

ER -

ID: 7549110