Abstract
The constraints of classical thermodynamics on analyzing nanosized objects are considered. It is shown that it is essential to separate the thermodynamic concepts of a cluster and a drop. Using the lattice gas model, a molecular statistical theory of small multicomponent mixtures is developed that considers inter-particle interactions in several coordination spheres and the effects of size equilibrium fluctuations. Kinetic equations describing the particle redistribution dynamics inside small bodies and the problems of allowing for size fluctuations in them are discussed. The principles of the molecular statistical theory are compared to results from applying molecular dynamics to modeling the states of small clusters and the surface states of metal atoms during their adsorption and diffusion on graphene.
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Original Russian Text © Yu.K. Tovbin, 2015, published in Zhurnal Fizicheskoi Khimii, 2015, Vol. 89, No. 3, pp. 551–568.
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Tovbin, Y.K. Molecular statistical theory of small bodies and their thermophysical and thermodynamic characteristics. Russ. J. Phys. Chem. 89, 547–562 (2015). https://doi.org/10.1134/S0036024415030309
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DOI: https://doi.org/10.1134/S0036024415030309