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Volumn 104, Issue 26, 2000, Pages 6248-6257

Origins of atom-centered local density enhancements in compressible supercritical fluids

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPRESSIBILITY; COMPUTER SIMULATION; DENSITY (SPECIFIC GRAVITY); MOLECULAR DYNAMICS; PROBABILITY DISTRIBUTIONS; SOLVENTS;

EID: 0034230296     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000379b     Document Type: Article
Times cited : (52)

References (75)
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    • Kiran, E., Debenedetti, P. G., Peters, C. J., Eds.; Kluwer: Dordrecht, in press
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    • Supercritical Fluids II
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    • Lecture Notes in Physics 186; Hahne, F. J. W., Ed.; Springer-Verlag: Stellenbosch, South Africa
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    • (1983) Critical Phenomena, Proceedings, Stellenbosch, South Africa , pp. 1
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    • Chialvo, A. A.; Cummings, P. T. In Supercritical Fluids II; Kiran, E., Debenedetti, P. G., Peters, C. J., Eds.; Kluwen Dordrecht, in press.
    • Supercritical Fluids II
    • Chialvo, A.A.1    Cummings, P.T.2
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    • note
    • 1) denotes ah ordinary d-dimensional vector, with d the spatial dimensionality.
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    • note
    • -2, our default compressible-fluid density.
  • 55
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    • Kiran, E., Debenedetti, P. G., Peters, C. J., Eds.; Kluwer: Dordrecht, in press
    • Tucker, S. C.; Goodyear, G. In Supercritical Fluids II; Kiran, E., Debenedetti, P. G., Peters, C. J., Eds.; Kluwer: Dordrecht, in press.
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    • note
    • excl lies within the core (where g(r) is zero).
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    • note
    • l〉 = ρ, in stark contrast to what we observe here (Figure 3) for an inhomogeneous fluid.
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    • note
    • excl were chosen to emphasize this structure; see section III.
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    • note
    • Although we have not proven that the atom-centered local-density distribution must converge to the hard-sphere limit at high temperatures, we have explicitly verified this result for our model system by simulation.
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    • ACS Symposium Series 406; Jonhston, K. P., Penninger, J. M. L., Eds.; American Chemical Society: Washington, DC
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    • Academic Press: London, and discussed in earlier works by one of us (ref 15)
    • The reader should recognize that this separation is not necessarily, and, in fact, probably is not, equivalent to the long-range/short-range or direct/indirect breakdown often made on the basis of the Ornstein-Zernike equation (Hansen, J.-P.; McDonald, I. R. Theory of Simple Liquids, 2nd ed.; Academic Press: London, 1986), and discussed in earlier works by one of us (ref 15).
    • (1986) Theory of Simple Liquids, 2nd Ed.
    • Hansen, J.-P.1    McDonald, I.R.2
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    • Or, more rigorously, at the point of maximum compressibility along the (possibly noncritical) isotherm
    • Or, more rigorously, at the point of maximum compressibility along the (possibly noncritical) isotherm.
  • 75
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    • unpublished results
    • Maroncelli, M., unpublished results.
    • Maroncelli, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.