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- W2002080498 abstract "A relatively simple equation of state is proposed for several forms of ice, whose parameters have been fitted to the results of extensive computer simulations using the TIP4P/Ice and TIP4P/2005 models of water. Comparison with available experimental data for ice Ih shows that both models reproduce the experimental density and isothermal compressibility to good accuracy over the entire range of thermodynamic stability except at low temperatures. The predictions for the thermal expansion coefficient are slightly worse but still reasonable. Results obtained with the TIP4P/2005 model are slightly better than those obtained with the TIP4P/Ice model. At temperatures below 150 K, the predictions of both models deviate significantly from experiment. As expected, at low temperatures, quantum effects become increasingly important, and classical simulations are unable to accurately describe the properties of ices. In fact, neither the heat capacity nor the thermal expansion coefficient go to zero at zero temperature (as they should be according to the third law of thermodynamics). Predicted compressibilites are however reliable even up to 0 K. Finally, the relative energies of the ices at 0 K have also been estimated and compared with the experiments." @default.
- W2002080498 created "2016-06-24" @default.
- W2002080498 creator A5020174218 @default.
- W2002080498 creator A5060414896 @default.
- W2002080498 creator A5067179538 @default.
- W2002080498 creator A5088034473 @default.
- W2002080498 date "2007-10-03" @default.
- W2002080498 modified "2023-10-17" @default.
- W2002080498 title "Equation of State, Thermal Expansion Coefficient, and Isothermal Compressibility for Ices Ih, II, III, V, and VI, as Obtained from Computer Simulation" @default.
- W2002080498 cites W1491824558 @default.
- W2002080498 cites W1520168758 @default.
- W2002080498 cites W1660956260 @default.
- W2002080498 cites W1964852724 @default.
- W2002080498 cites W1973119062 @default.
- W2002080498 cites W1973972664 @default.
- W2002080498 cites W1975166215 @default.
- W2002080498 cites W1976499671 @default.
- W2002080498 cites W1980456375 @default.
- W2002080498 cites W1980952311 @default.
- W2002080498 cites W1981379867 @default.
- W2002080498 cites W1981602538 @default.
- W2002080498 cites W1983474142 @default.
- W2002080498 cites W1984843202 @default.
- W2002080498 cites W1996101216 @default.
- W2002080498 cites W1999283969 @default.
- W2002080498 cites W2000456051 @default.
- W2002080498 cites W2000505180 @default.
- W2002080498 cites W2007756659 @default.
- W2002080498 cites W2010839797 @default.
- W2002080498 cites W2012519960 @default.
- W2002080498 cites W2017417570 @default.
- W2002080498 cites W2018259386 @default.
- W2002080498 cites W2020546548 @default.
- W2002080498 cites W2023458081 @default.
- W2002080498 cites W2024726841 @default.
- W2002080498 cites W2026452597 @default.
- W2002080498 cites W2026973935 @default.
- W2002080498 cites W2027580422 @default.
- W2002080498 cites W2032318886 @default.
- W2002080498 cites W2035335566 @default.
- W2002080498 cites W2037144984 @default.
- W2002080498 cites W2038652507 @default.
- W2002080498 cites W2041561194 @default.
- W2002080498 cites W2043622600 @default.
- W2002080498 cites W2043668344 @default.
- W2002080498 cites W2044493884 @default.
- W2002080498 cites W2044865712 @default.
- W2002080498 cites W2046724725 @default.
- W2002080498 cites W2047486534 @default.
- W2002080498 cites W2049475242 @default.
- W2002080498 cites W2049742264 @default.
- W2002080498 cites W2055341112 @default.
- W2002080498 cites W2057918301 @default.
- W2002080498 cites W2059544313 @default.
- W2002080498 cites W2060474962 @default.
- W2002080498 cites W2060680132 @default.
- W2002080498 cites W2061741766 @default.
- W2002080498 cites W2063012052 @default.
- W2002080498 cites W2063609084 @default.
- W2002080498 cites W2065429353 @default.
- W2002080498 cites W2066320108 @default.
- W2002080498 cites W2068995897 @default.
- W2002080498 cites W2074117796 @default.
- W2002080498 cites W2079161771 @default.
- W2002080498 cites W2081693079 @default.
- W2002080498 cites W2081926166 @default.
- W2002080498 cites W2087320402 @default.
- W2002080498 cites W2087577737 @default.
- W2002080498 cites W2087596773 @default.
- W2002080498 cites W2088227960 @default.
- W2002080498 cites W2088767715 @default.
- W2002080498 cites W2088925839 @default.
- W2002080498 cites W2089669941 @default.
- W2002080498 cites W2090147686 @default.
- W2002080498 cites W2091134667 @default.
- W2002080498 cites W2091926441 @default.
- W2002080498 cites W2124818424 @default.
- W2002080498 cites W2127342238 @default.
- W2002080498 cites W2130291327 @default.
- W2002080498 cites W2133894222 @default.
- W2002080498 cites W2139511716 @default.
- W2002080498 cites W2140642302 @default.
- W2002080498 cites W2160148446 @default.
- W2002080498 cites W2167982069 @default.
- W2002080498 cites W2297422337 @default.
- W2002080498 cites W2328807407 @default.
- W2002080498 cites W3104086662 @default.
- W2002080498 cites W3104801051 @default.
- W2002080498 cites W4243455430 @default.
- W2002080498 doi "https://doi.org/10.1021/jp0743121" @default.
- W2002080498 hasPublicationYear "2007" @default.
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