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Gelation models of hydrogen bond networks in liquid water

1983; American Physical Society; Volume: 28; Issue: 3 Linguagem: Inglês

10.1103/physrevb.28.1626

1095-3795

H. Eugene Stanley, R. Blumberg, Alfons Geiger,

Phase Equilibria and Thermodynamics

Cluster statistics of hydrogen bond networks in water are calculated with the use of molecular dynamics (MD) and are compared with the predictions of gelation models. For small bond networks the MD calculations agree well with Flory theory (which neglects cycles), but they disagree for the larger networks. The MD data for the connectivity of the larger networks agree much better with our ice lattice calculations, providing the first MD test of the ability of Flory theory to describe polyfunctional condensation network statistics.