Histogram reweighting
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The histogram reweighting technique for Monte Carlo simulations was developed by Ferrenberg and Swendsen for the canonical ensemble (Ref. 1 and 2). With only a few simulations the entire vapor–liquid coexistence region of a pure fluid can be investigated.
In the grand-canonical ensemble
For the grand canonical ensemble see Refs. 3 and 4.
In the isothermal-isobaric ensemble
For the isothermal-isobaric ensemble see Ref. 5.
Reviews
- Athanassios Z Panagiotopoulos "Monte Carlo methods for phase equilibria of fluids", Journal of Physics: Condensed Matter 12 pp. R25-R52 (2000)
- Juan J. de Pablo, Qiliang Yan1and Fernando A. Escobedo o "Simulation of Phase Transitions in Fluids", Annual Review of Physical Chemistry 50 pp. 377-411 (1999)
See also
References
- Alan M. Ferrenberg and Robert H. Swendsen "New Monte Carlo technique for studying phase transitions", Physical Review Letters 61 pp. 2635-2638 (1988)
- Alan M. Ferrenberg and Robert H. Swendsen "Optimized Monte Carlo data analysis", Physical Review Letters 63 pp. 1195-1198 (1989)
- Nigel B. Wilding "Critical-point and coexistence-curve properties of the Lennard-Jones fluid: A finite-size scaling study", Physical Review E 52 pp. 602-611 (1995)
- Kenji Kiyohara, Keith E. Gubbins, and Athanassios Z. Panagiotopoulos "Phase coexistence properties of polarizable Stockmayer fluids", Journal of Chemical Physics 106 pp. 3338- (1997)
- P. B. Conrad and J. J. de Pablo "Comparison of histogram reweighting techniques for a flexible water model", Fluid Phase Equilibria 150-151 pp. 51-61 (1998)