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Structure of Associated Mixtures with Various Number of Intermolecular Bonds: Numerical Simulation

  • PHYSICAL METHODS FOR STUDYING CHEMICAL REACTIONS
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Abstract

Using models of thermoassociated polymers, a cellular model of associated solutions is developed for cases where molecules of a solute are able to form from 2 to 6 bonds with each other. It is shown that solutions associated by weak intermolecular interactions in a certain range of concentrations can be considered as systems of flickering pseudo-polymeric macromolecules with a fractal structure.

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FUNDING

This work was performed in terms of the RF Government task (theme V 45.5, 0082-2014-0015, АААА-А17-117032750201-9); it was supported by the Russian Foundation for Basic Research (project no. 17-03-00146).

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Authors and Affiliations

  1. Semenov Institute of Chemical Physics, Russian Academy of Sciences, 119991, Moscow, Russia

    D. N. Tarasov & R. P. Tiger

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  1. D. N. Tarasov
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  2. R. P. Tiger
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Correspondence to D. N. Tarasov.

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Translated by P. Vlasov

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Tarasov, D.N., Tiger, R.P. Structure of Associated Mixtures with Various Number of Intermolecular Bonds: Numerical Simulation. Russ. J. Phys. Chem. B 13, 478–485 (2019). https://doi.org/10.1134/S1990793119030138

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  • DOI: https://doi.org/10.1134/S1990793119030138

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