Abstract
Extensions of the Monte Carlo method of Metropolis et al. are described which permit both isochoric and isothermal extrapolations of Monte Carlo data. Thermodynamic properties are calculated for liquid argon from Lennard-Jones parameters for a wide V, T-range. The agreement between calculated and experimental values is, on the whole, satisfactory.
Keywords
Monte Carlo methodIsochoric processThermodynamicsChemistryArgonStatistical physicsDynamic Monte Carlo methodIsothermal processRange (aeronautics)Hybrid Monte CarloMonte Carlo method in statistical physicsMonte Carlo molecular modelingPhysicsMarkov chain Monte CarloMaterials scienceMathematics
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Publication Info
- Year
- 1967
- Type
- article
- Volume
- 43
- Pages
- 40-40
- Citations
- 200
- Access
- Closed
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Cite This
Ian R. McDonald,
K. Singer
(1967).
Calculation of thermodynamic properties of liquid argon from Lennard-Jones parameters by a Monte Carlo method.
Discussions of the Faraday Society
, 43
, 40-40.
https://doi.org/10.1039/df9674300040
Identifiers
- DOI
- 10.1039/df9674300040