The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water

G. T. Gao, X. C. Zeng, Hideki Tanaka

Research output: Contribution to journalArticle

84 Citations (Scopus)

Abstract

We report computer simulation results of free energies of proton-disordered hexagonal ice and liquid water at atmospheric pressure with the 4-site transferable intermolecular potential model of water. A new reference system is used to calculate the free energy of the ice phase. The melting point of proton-disordered hexagonal ice at atmospheric pressure is found to be Tm = 238 (±7) K. This result is consistent with a previous estimation, 230 Km

Original languageEnglish
Pages (from-to)8534-8538
Number of pages5
JournalThe Journal of Chemical Physics
Volume112
Issue number19
Publication statusPublished - May 15 2000

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Ice
Melting point
Protons
ice
computerized simulation
melting
Free energy
Atmospheric pressure
protons
Water
atmospheric pressure
Computer simulation
free energy
water
reference systems
melting points
temperature
Liquids
liquids

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

The melting temperature of proton-disordered hexagonal ice : A computer simulation of 4-site transferable intermolecular potential model of water. / Gao, G. T.; Zeng, X. C.; Tanaka, Hideki.

In: The Journal of Chemical Physics, Vol. 112, No. 19, 15.05.2000, p. 8534-8538.

Research output: Contribution to journalArticle

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