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Volumn 117, Issue 11, 2002, Pages 5101-5104

Predicting water's phase diagram and liquid-state anomalies

Author keywords

[No Author keywords available]

Indexed keywords

COMPRESSIBILITY OF LIQUIDS; COMPUTER SIMULATION; ENTHALPY; HYDROGEN BONDS; ISOTHERMS; PHASE DIAGRAMS; SPECIFIC HEAT OF LIQUIDS; SUPERCOOLING; THERMAL EXPANSION; THERMODYNAMICS; WATER;

EID: 0037106424     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1505438     Document Type: Article
Times cited : (56)

References (28)
  • 2
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    • edited by P. Schuster, G. Zundel, and C. Sandorfy (Elsevier, Amsterdam)
    • W. A. P. Luck, in The Hydrogen Bond, Vol. 2, edited by P. Schuster, G. Zundel, and C. Sandorfy (Elsevier, Amsterdam, 1976); F. H. Stillinger, Science 209, 451 (1980); G. A. Jeffrey, An Introduction to Hydrogen Bonding Oxford University Press, New York, 1997; J. D. Cruzan et al., Science 271, 59 (1996).
    • (1976) The Hydrogen Bond , vol.2
    • Luck, W.A.P.1
  • 3
    • 3843096194 scopus 로고
    • W. A. P. Luck, in The Hydrogen Bond, Vol. 2, edited by P. Schuster, G. Zundel, and C. Sandorfy (Elsevier, Amsterdam, 1976); F. H. Stillinger, Science 209, 451 (1980); G. A. Jeffrey, An Introduction to Hydrogen Bonding Oxford University Press, New York, 1997; J. D. Cruzan et al., Science 271, 59 (1996).
    • (1980) Science , vol.209 , pp. 451
    • Stillinger, F.H.1
  • 4
    • 0003914038 scopus 로고    scopus 로고
    • Oxford University Press, New York
    • W. A. P. Luck, in The Hydrogen Bond, Vol. 2, edited by P. Schuster, G. Zundel, and C. Sandorfy (Elsevier, Amsterdam, 1976); F. H. Stillinger, Science 209, 451 (1980); G. A. Jeffrey, An Introduction to Hydrogen Bonding Oxford University Press, New York, 1997; J. D. Cruzan et al., Science 271, 59 (1996).
    • (1997) An introduction to hydrogen bonding
    • Jeffrey, G.A.1
  • 5
    • 0030569647 scopus 로고    scopus 로고
    • W. A. P. Luck, in The Hydrogen Bond, Vol. 2, edited by P. Schuster, G. Zundel, and C. Sandorfy (Elsevier, Amsterdam, 1976); F. H. Stillinger, Science 209, 451 (1980); G. A. Jeffrey, An Introduction to Hydrogen Bonding Oxford University Press, New York, 1997; J. D. Cruzan et al., Science 271, 59 (1996).
    • (1996) Science , vol.271 , pp. 59
    • Cruzan, J.D.1
  • 16
    • 0010486620 scopus 로고    scopus 로고
    • note
    • We prefer the term "volume" here to maintain consistency with the 3D systems we are modeling. In this 2D model, these quantities are areas.
  • 20
    • 0010489460 scopus 로고    scopus 로고
    • note
    • References 14 and 15 discuss how to account for the dispersion attractions when computing the model's thermodynamic properties.
  • 21
    • 0009979659 scopus 로고
    • G. S. Kell, J. Chem. Eng. Data 12, 66 (1967); R. J. Speedy and C. A. Angell, J. Chem. Phys. 65, 851 (1976); C. A. Angell, M. Oguni, and W. J. Sichina, J. Phys. Chem. 86, 998 (1982); D. E. Hare and C. M. Sorensen, J. Chem. Phys. 84, 5085 (1986).
    • (1967) J. Chem. Eng. Data , vol.12 , pp. 66
    • Kell, G.S.1
  • 22
    • 33846371726 scopus 로고
    • G. S. Kell, J. Chem. Eng. Data 12, 66 (1967); R. J. Speedy and C. A. Angell, J. Chem. Phys. 65, 851 (1976); C. A. Angell, M. Oguni, and W. J. Sichina, J. Phys. Chem. 86, 998 (1982); D. E. Hare and C. M. Sorensen, J. Chem. Phys. 84, 5085 (1986).
    • (1976) J. Chem. Phys. , vol.65 , pp. 851
    • Speedy, R.J.1    Angell, C.A.2
  • 23
    • 0000407903 scopus 로고
    • G. S. Kell, J. Chem. Eng. Data 12, 66 (1967); R. J. Speedy and C. A. Angell, J. Chem. Phys. 65, 851 (1976); C. A. Angell, M. Oguni, and W. J. Sichina, J. Phys. Chem. 86, 998 (1982); D. E. Hare and C. M. Sorensen, J. Chem. Phys. 84, 5085 (1986).
    • (1982) J. Phys. Chem. , vol.86 , pp. 998
    • Angell, C.A.1    Oguni, M.2    Sichina, W.J.3
  • 24
    • 0001690455 scopus 로고
    • G. S. Kell, J. Chem. Eng. Data 12, 66 (1967); R. J. Speedy and C. A. Angell, J. Chem. Phys. 65, 851 (1976); C. A. Angell, M. Oguni, and W. J. Sichina, J. Phys. Chem. 86, 998 (1982); D. E. Hare and C. M. Sorensen, J. Chem. Phys. 84, 5085 (1986).
    • (1986) J. Chem. Phys. , vol.84 , pp. 5085
    • Hare, D.E.1    Sorensen, C.M.2
  • 26
    • 35949014660 scopus 로고
    • The present theory neglects crystal defects and predicts first-order melting transitions. Note that Kosterlitz-Thouless-Halperin-Nelson-Young theory predicts that defects can cause the melting of 2D crystals to occur via a continuous transition [see, e.g., K. J. Strandburg, Rev. Mod. Phys. 60, 161 (1988)].
    • (1988) Rev. Mod. Phys. , vol.60 , pp. 161
    • Strandburg, K.J.1


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