Line of percolation in supercritical water.
The percolation transition of the hydrogen-bonded clusters of molecules is investigated in supercritical water by Monte Carlo computer simulations. Simulations have been performed at four thermodynamic state points located above the supercritical extension of the vapor-liquid coexistence curve on the p-T phase diagram and at four state points located below this curve. It is found in a temperature range of a few hundred Kelvin that the extension of the vapor-liquid coexistence curve separates the supercritical thermodynamic states in which the water molecules form infinite hydrogen-bonded clusters from those in which the hydrogen-bonded clusters are isolated oligomers. However, the difference between the size of the hydrogen-bonded clusters at thermodynamic states located at the two sides of the extension of the coexistence curve is found to decrease with increasing temperature, and the present results suggest that this difference is likely to vanish at high enough temperatures.
Pártay
Lívia
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Department of Colloid Chemistry, Eötvös Loránd University, Pázmány Péter Setany 1/a, H-1117 Budapest, Hungary.
Jedlovszky
Pál
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