Abstract
Equilibrium 3D density profiles in droplets around solid lyophilic spherical particles in under- and supersaturated vapor and in thin concentric vapor shells on lyophobic particles in stretched and stable liquid have been found within the molecular density functional theory with hard-sphere correlations taken into account via the fundamental measure theory. The existence of stable drops and bubbles is confirmed, their structure is described, and threshold values of the chemical potential of vapor and liquid for barrierless nucleation are found. The results show a qualitative agreement with previous ones obtained by us within other versions of molecular density functional theory.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
REFERENCES
F. M. Kuni, A. K. Shchekin, A. I. Rusanov, and B. Widom, “Role of surface forces in heterogeneous nucleation on wettable nuclei,” Adv. Colloid Interface Sci. 65, 71–124 (1996).
F. M. Kuni, A. K. Shchekin, and A. P. Grinin, “Theory of heterogeneous nucleation for vapor undergoing a gradual metastable state formation,” Phys. Usp. 44, 331–370 (2001).
A. K. Shchekin, T. S. Lebedeva, and D. V. Tatyanenko, “Dependence of the condensate chemical potential on droplet size in thermodynamics of heterogeneous nucleation within the gradient DFT,” Fluid Phase Equilib. 424, 162–172 (2016).
A. K. Shchekin, T. S. Lebedeva, and D. V. Tatyanenko, “Key thermodynamic characteristics of nucleation on charged and neutral cores of molecular sizes in terms of the gradient density functional theory,” Colloid J. 78, 553–565 (2016).
A. K. Shchekin and T. S. Lebedeva, “Density functional description of size-dependent effects at nucleation on neutral and charged nanoparticles,” J. Chem. Phys. 146, 094702 (2017).
A. K. Shchekin, L. A. Gosteva, and T. S. Lebedeva, “Thermodynamic properties of stable and unstable vapor shells around lyophobic nanoparticles,” Physica A (Amsterdam) 560, 125105 (2020).
A. Shchekin, L. Gosteva, and D. Tatyanenko, “Disjoining pressure in vapor layers near planar and spherical lyophobic surfaces,” Colloids Surf. A 615, 126277 (2021).
A. K. Shchekin, L. A. Gosteva, T. S. Lebedeva, and D. V. Tat’yanenko, “A unified approach to disjoining pressure in liquid and vapor interlayer within the framework of the density functional theory,” Colloid J. 83, 263–269 (2021).
L. A. Gosteva and A. K. Shchekin, “Calculations of thermodynamic characteristics of vapor interlayers with the use of gradient and integral density functional theories and nudged elastic band method,” Colloid J. 83, 558–565 (2021).
J.F. Lutsko, “ClassicalDFT. GitHub repository,” https://github.com/jimlutsko/classicalDFT.
R. Roth, “Fundamental measure theory for hard-sphere mixtures: a review,” J. Chem. Phys.: Condens. Matter 22, 063102 (2010).
R. Evans, “The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform classical fluids,” Adv. Phys. 28, 143–200 (1979).
Funding
This work was supported by the Russian Science Foundation under grant no. 22-13-00151, https://rscf.ru/project/22-13-00151/.
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
The authors declare that they have no conflicts of interest.
Rights and permissions
About this article
Cite this article
Gosteva, L.A., Shchekin, A.K. Density Functional Theory with Fundamental Measure Theory for Stable Drops and Bubbles on Lyophilic and Lyophobic Nucleation Cores. Phys. Part. Nuclei Lett. 20, 1084–1087 (2023). https://doi.org/10.1134/S154747712305031X
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S154747712305031X