TY - JOUR

T1 - Confinement Effects in Droplet Formation on a Solid Particle

AU - Щёкин, Александр Кимович

AU - Гостева, Любовь Андреевна

AU - Лебедева, Татьяна Сергеевна

AU - Татьяненко, Дмитрий Викторович

N1 - A.K. Shchekin, L.A. Gosteva, T.S. Lebedeva, D.V. Tatyanenko, Confinement Effects in Droplet Formation on a Solid Particle // Langmuir. 2024. V. 40. No. 10. Pp. 5174−5182

PY - 2024/2/28

Y1 - 2024/2/28

N2 - Formation of a droplet around a spherical solid particle in supersaturated vapor is considered. The number and stability of equilibrium solutions in a closed small system are studied in the canonical ensemble in comparison to an open system in the grand canonical ensemble. Depending on the system’s parameters, two modes exist in the canonical ensemble: the first one with only one solution and the second one with three solutions; the presence of the third solution is due to confinement. The analysis is conducted first on a macroscopic thermodynamic level of description, and then the results are supported by studies within two versions of classical density functional theory: the square-gradient approximation with the Carnahan–Starling equation of state for hard spheres on a completely wettable particle and the random-phase approximation with the fundamental measure theory on a poorly wettable particle. In the latter case, a solution breaking the spherical symmetry is observed at a small total number of molecules.

AB - Formation of a droplet around a spherical solid particle in supersaturated vapor is considered. The number and stability of equilibrium solutions in a closed small system are studied in the canonical ensemble in comparison to an open system in the grand canonical ensemble. Depending on the system’s parameters, two modes exist in the canonical ensemble: the first one with only one solution and the second one with three solutions; the presence of the third solution is due to confinement. The analysis is conducted first on a macroscopic thermodynamic level of description, and then the results are supported by studies within two versions of classical density functional theory: the square-gradient approximation with the Carnahan–Starling equation of state for hard spheres on a completely wettable particle and the random-phase approximation with the fundamental measure theory on a poorly wettable particle. In the latter case, a solution breaking the spherical symmetry is observed at a small total number of molecules.

KW - нуклеация

KW - капля

KW - метод функционала плотности

KW - химический потенциал

KW - ограниченная система

KW - nucleation

KW - droplet

KW - density functional theory

KW - chemical potential

KW - confined system

UR - https://www.mendeley.com/catalogue/38328713-8ea3-3e1d-9892-dfbe5375abbb/

U2 - 10.1021/acs.langmuir.3c03342

DO - 10.1021/acs.langmuir.3c03342

M3 - Article

VL - 40

SP - 5174−5182

JO - Langmuir

JF - Langmuir

SN - 0743-7463

IS - 10

ER -