articleTop 10% cited
Temperature and size dependence for Monte Carlo simulations of TIP4P water
Molecular Physics · 1985 · Vol. 56(6) · pp. 1381–1392
William L. Jorgensen✉(Purdue University West Lafayette)Jeffry D. Madura(Purdue University West Lafayette)
Abstract
Abstract A series of Monte Carlo simulations has been carried out to characterize the temperature and size dependence of the results for liquid water using the TIP4P potential function. Five temperatures from -25 to 100°C and four system sizes from 64 to 512 molecules have been studied. Comparisons are made with experimental thermodynamic and structural data as well as results of prior simulations.
Spectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesQuantum, superfluid, helium dynamicsMonte Carlo methodStatistical physicsLiquid waterSeries (stratigraphy)Water modelThermodynamicsMolecular dynamicsPhysicsMaterials scienceChemistry
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References
Comparison of simple potential functions for simulating liquid water
The Journal of Chemical Physics · 1983 · 41,376 citations
Density, thermal expansivity, and compressibility of liquid water from 0.deg. to 150.deg.. Correlations and tables for atmospheric pressure and saturation reviewed and expressed on 1968 temperature scale
Journal of Chemical & Engineering Data · 1975 · 1,514 citations
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