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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 изданиях › статья › Рецензирование
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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