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Computer Simulation of Water Vapor Adsorption on the Surface of a Crystal β-AgI Regular Shape Nanoparticle

  • NANOSCALE AND NANOSTRUCTURED MATERIALS AND COATINGS
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Abstract

The Gibbs free energy and water vapor adsorption isotherms on the surface of a silver iodide nanoparticle at a temperature of 260 K have been calculated via the bicanonical statistic ensemble at the molecular level. The profiles of dependences reveal the capability of a surface to retain microdroplets in water vapors, as well as evidencing the condensation scenario of the formation of the contact between the dense phase and the solid surface as the most feasible way of heterogeneous nucleation under atmospheric conditions.

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ACKNOWLEDGMENTS

This work was supported by the Ministry of Science and Education of the Russian Federation (project no. 3.4808.2017/6.7) and by the Russian Foundation for Basic Research (project no. 18-03-00011).

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  1. Peter the Great St. Petersburg Polytechnic University, 195251, St. Petersburg, Russia

    S. V. Shevkunov

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Correspondence to S. V. Shevkunov.

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Translated by O. Maslova

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Shevkunov, S.V. Computer Simulation of Water Vapor Adsorption on the Surface of a Crystal β-AgI Regular Shape Nanoparticle. Prot Met Phys Chem Surf 55, 41–49 (2019). https://doi.org/10.1134/S2070205119010222

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