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Structure of supercritical water: The concept of critical isotherm as a percolation threshold

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Abstract

Computer simulations are used to study the rearrangements of hydrogen-bonded structures of water upon transition to the supercritical state. It is shown that the destruction of the infinite hydrogen-bonded cluster, i.e., crossing the percolation threshold occurs in the subcritical region and that, at the critical temperature, structural variations reach the point where the fluid acquires the properties of a system with two types of ordering. The existence of tetrahedral clusters in supercritical water is confirmed only at high pressure.

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Authors and Affiliations

  1. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo, Russia

    V. E. Petrenko, D. L. Gurina & M. L. Antipova

Authors
  1. V. E. Petrenko
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  2. D. L. Gurina
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  3. M. L. Antipova
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Correspondence to V. E. Petrenko.

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Original Russian Text © V.E. Petrenko, D.L. Gurina, M.L. Antipova, 2012, published in Sverkhkriticheskie Flyuidy: Teoriya i Praktika, 2012, Vol. 7, No. 2, pp. 55–66.

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Petrenko, V.E., Gurina, D.L. & Antipova, M.L. Structure of supercritical water: The concept of critical isotherm as a percolation threshold. Russ. J. Phys. Chem. B 6, 899–906 (2012). https://doi.org/10.1134/S1990793112080155

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  • DOI: https://doi.org/10.1134/S1990793112080155

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