Comparison of thermodynamic properties of simulated liquid silica and water

Peter H. Poole, Mahin Hemmati, Charles Angell

Research output: Contribution to journalArticle

145 Citations (Scopus)

Abstract

We conduct extensive molecular dynamics computer simulations of a rigid-ion model of liquid silica [L.V. Woodcock et al., J. Chem. Phys. 65, 1565 (1976)], evaluating thermodynamic and transport properties over a wide range of pressure and temperature. We find numerous similarities with behavior found in simulations of supercooled water, including a line of density maxima that passes through a maximum temperature as a function of pressure, and the emergence as temperature decreases of maxima in isotherms of the isothermal compressibility as a function of density.

Original languageEnglish (US)
Pages (from-to)2281-2284
Number of pages4
JournalPhysical Review Letters
Volume79
Issue number12
StatePublished - 1997

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thermodynamic properties
silicon dioxide
liquids
water
compressibility
temperature
isotherms
computerized simulation
transport properties
molecular dynamics
ions
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Comparison of thermodynamic properties of simulated liquid silica and water. / Poole, Peter H.; Hemmati, Mahin; Angell, Charles.

In: Physical Review Letters, Vol. 79, No. 12, 1997, p. 2281-2284.

Research output: Contribution to journalArticle

Poole, Peter H. ; Hemmati, Mahin ; Angell, Charles. / Comparison of thermodynamic properties of simulated liquid silica and water. In: Physical Review Letters. 1997 ; Vol. 79, No. 12. pp. 2281-2284.
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