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Volumn 63, Issue 5, 2001, Pages

Precise simulation of criticality in asymmetric fluids

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONTINUUM MECHANICS; CORRELATION METHODS; GAS DYNAMICS; MATHEMATICAL MODELS; MONTE CARLO METHODS; PHASE SEPARATION; PHASE TRANSITIONS; PRESSURE EFFECTS; SPECIFIC HEAT; THERMAL EFFECTS; VAPOR PRESSURE;

EID: 0035333292     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.63.051507     Document Type: Article
Times cited : (121)

References (77)
  • 32
    • 85035296345 scopus 로고    scopus 로고
    • A brief, summary account of our work has been presented in G. Orkoulas, M. E. Fisher, and A. Z. Panagiotopoulos, in Computer Simulation Studies in Condensed Matter Physics XIII, 13th Annual Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics, Athens, Georgia, 2000, edited by D. P. Landau, S. P. Lewis, and H. B. Schüttler (Springer, Heidelberg, 2000), p. 167
    • A brief, summary account of our work has been presented in G. Orkoulas, M. E. Fisher, and A. Z. Panagiotopoulos, in Computer Simulation Studies in Condensed Matter Physics XIII, 13th Annual Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics, Athens, Georgia, 2000, edited by D. P. Landau, S. P. Lewis, and H. B. Schüttler (Springer, Heidelberg, 2000), p. 167.
  • 36
    • 85035279008 scopus 로고    scopus 로고
    • A rather natural locus of effective symmetry, much used in experimental work, is based on linear extrapolation vs T of the coexistence diameter (Formula presented) defined in Eq. (1.2), up to and beyond (Formula presented) Apart from the uncertain nature of the critical singularities in (Formula presented) [as discussed after Eq. (1.2)], the diameter, like the coexistence curve itself, is essentially undefined in the near-critical region of a finite-size simulation owing to the necessarily strong rounding and spread of the density distribution. In the RPM, furthermore, the diameter has a very large slope and, it seems likely, significant curvature so that even naive extrapolation is problematical
    • A rather natural locus of effective symmetry, much used in experimental work, is based on linear extrapolation vs T of the coexistence diameter (Formula presented) defined in Eq. (1.2), up to and beyond (Formula presented) Apart from the uncertain nature of the critical singularities in (Formula presented) [as discussed after Eq. (1.2)], the diameter, like the coexistence curve itself, is essentially undefined in the near-critical region of a finite-size simulation owing to the necessarily strong rounding and spread of the density distribution. In the RPM, furthermore, the diameter has a very large slope and, it seems likely, significant curvature so that even naive extrapolation is problematical.
  • 49
    • 36849114798 scopus 로고
    • These points can also be found in T. L. Hill, Thermodynamics of Small Systems, Parts I and II (Dover, New York, 1962)
    • For a discussion of the isothermal-isobaric ensemble see, e.g., W. W. Wood, J. Chem. Phys. 48, 415 (1968).These points can also be found in T. L. Hill, Thermodynamics of Small Systems, Parts I and II (Dover, New York, 1962).
    • (1968) J. Chem. Phys. , vol.48 , pp. 415
    • Wood, W.W.1
  • 52
    • 0004081609 scopus 로고
    • M. S. Green Academic, New York
    • M. E. Fisher, in Critical Phenomena, edited by M. S. Green (Academic, New York, 1971), p. 1, Sec. V.
    • (1971) Critical Phenomena , pp. 1
    • Fisher, M.E.1
  • 64
    • 85035303429 scopus 로고    scopus 로고
    • See 19 and references therein
    • See 19 and references therein.
  • 68
    • 85035273638 scopus 로고    scopus 로고
    • H. E. Stanley, in Phase Transitions and Critical Phenomena, edited by C. Domb and M. S. Green (Academic, London, 1974), Vol. 3, Chap. 7
    • H. E. Stanley, in Phase Transitions and Critical Phenomena, edited by C. Domb and M. S. Green (Academic, London, 1974), Vol. 3, Chap. 7.
  • 72
    • 85035302963 scopus 로고    scopus 로고
    • E. M. Gaddy, Ph.D. thesis, The American University, Washington, D.C., 1978
    • E. M. Gaddy, Ph.D. thesis, The American University, Washington, D.C., 1978;
  • 74
    • 85035288810 scopus 로고    scopus 로고
    • We also examined the simulation data for (Formula presented) and (Formula presented) for various values of (Formula presented) The observed behavior is fairly complex; but it can be understood as arising from the finite-size rounding of singularities and discontinuities and from the linear dependence on density implied by Eq. (4.2) in the thermodynamic limit, when it reads, in an obvious notation, (Formula presented) In a sufficiently large and precise simulation, further significant information regarding the Y-Y anomaly may well be extractable from studying these functions. At the level achieved, however, further investigation did not seem promising
    • We also examined the simulation data for (Formula presented) and (Formula presented) for various values of (Formula presented) The observed behavior is fairly complex; but it can be understood as arising from the finite-size rounding of singularities and discontinuities and from the linear dependence on density implied by Eq. (4.2) in the thermodynamic limit, when it reads, in an obvious notation, (Formula presented) In a sufficiently large and precise simulation, further significant information regarding the Y-Y anomaly may well be extractable from studying these functions. At the level achieved, however, further investigation did not seem promising.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.