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Collective interactions in the mechanism of adhesion of condensed phase nuclei to a crystal surface. 2. Thermodynamic stability

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Abstract

The Monte Carlo method is used to calculate, at the molecular level, the free energy, entropy, and the work of formation at an initial stage of nucleation of a condensed phase from water vapor on the surface of a solid crystalline silver iodide substrate. The pattern of the obtained dependences confirms the pronounced layer-by-layer character of the growth of nuclei and the thermodynamic stability of a molecular film formed at the contact with the substrate. An increased hydrophilicity of the substrate surface with respect to the first monomolecular layer is enhanced by the formation of regions of spontaneous polarization in the latter. The reasons for the thermodynamic advantage of the separation of the nucleus contact layer on the substrate into domains with different types of polarization are analyzed in terms of a lattice model. Computer simulation within the framework of the lattice model demonstrates that a rise in the polarizability of the substrate is accompanied by a continuous increase in the equilibrium sizes of the domains; moreover, the model predicts their strongly nonlinear dependence on both temperature and the polarizability of the substrate.

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  1. St. Petersburg State Technical University, ul. Politekhnicheskaya 29, St. Petersburg, 195251, Russia

    S. V. Shevkunov

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Original Russian Text © S.V. Shevkunov, 2012, published in Kolloidnyi Zhurnal, 2012, Vol. 74, No. 5, pp. 634–653.

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Shevkunov, S.V. Collective interactions in the mechanism of adhesion of condensed phase nuclei to a crystal surface. 2. Thermodynamic stability. Colloid J 74, 608–626 (2012). https://doi.org/10.1134/S1061933X12050122

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  • DOI: https://doi.org/10.1134/S1061933X12050122

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