Abstract
A concise review is given of Monte Carlo calculations for liquid systems, starting from hard-sphere models and Lennard-Jones fluids both in three and in two dimensions, and describing then ionic systems in detail; both fully ionized matter (i.e., dense plasmas) and electrolyte solutions, molten salts, etc. are treated. The third part of this review considers molecular fluids, while in the last section the gas-liquid interface is treated. Attention is paid both to technical problems, like the appropriate treatment of long-range interactions by the Monte Carlo method, and to the physical consequences of the results obtained. A detailed comparison of the numerical results with several analytic theories of the respective fluid systems is performed.
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Chapter 2 Methodological Aspects
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2.2.2 Hard Spheres Plus Yukawa Potential
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2.3.2 Lennard-Jones Mixtures
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2.3.3 Two-dimensional Lennard-Jones System
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2.4.2 Two-dimensional OCP
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2.4.3 Restrictive Primitive Model
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2.4.4 Molten Potassium Chloride
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Molten Caesium Halides
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Liquid Potassium Cyanide
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Alkaline Earth Halides
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Molten Salt Mixtures
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2.4.5 Li
G. Jacucci, M.L. Klein, R. Taylor: Solid State Commun. 19, 657 (1976)
Al
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Na, Cs
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Rb
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Na-K Alloy
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2.5.1 Hard Spherocylinders
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2.5.2 Diatomics
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Mixtures of Hard Diatomics
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Triatomics
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2.5.3 Dipolar Hard Spheres and Stochmayer Potential
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Dipole in Polarizable Fluid
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Polarizable Dipoles
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H2O
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HF
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W.L. Jörgensen: J. Am. Chem. Soc. 100, 7824 (1978)
2.6 Solid-Liquid Interface
S. Toxvaerd, E. Praestgaard: J. Chem. Phys. 67, 5291 (1977)
Y. Hiwatari, E. Stoll, T. Schneider: J. Chem. Phys. 68, 3401 (1978)
Hard Spheres Near a Wall
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Lennard-Jones Particles Near a Wall
F.F. Abraham: J. Chem. Phys. 68, 3713 (1978)
F.F. Abraham, Y. Singh: J. Chem. Phys. 68, 4767 (1978)
Gas-Liquid-Solid Coexistence
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Liquid-gas interface for molecular systems
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Levesque, D., Weis, J.J., Hansen, J.P. (1986). Simulation of Classical Fluids. In: Binder, K. (eds) Monte Carlo Methods in Statistical Physics. Topics in Current Physics, vol 7. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-82803-4_2
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