Editing Entropy of ice phases
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to it, at a distance of approximately 1 ångström, one hydrogen atom resides on each O-O bond. There are | to it, at a distance of approximately 1 ångström, one hydrogen atom resides on each O-O bond. There are | ||
many ways to distribute the protons such that these rules are satisfied, and all are equally probable. | many ways to distribute the protons such that these rules are satisfied, and all are equally probable. | ||
The ice with this random distribution must have null [[dipole moment]]. | |||
For this reason, the residual [[entropy]] of ice is correctly predicted. The observed residual entropy | For this reason, the residual [[entropy]] of ice is correctly predicted. The observed residual entropy | ||
was described for the first time using the statistical model for [[ice Ih]] introduced by Linus Pauling | was described for the first time using the statistical model for [[ice Ih]] introduced by Linus Pauling | ||
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a combinatorial entropy of <math>-Nk_B \ln (3/2)</math> to the theoretical estimate. This finding demonstrated that a crystal | a combinatorial entropy of <math>-Nk_B \ln (3/2)</math> to the theoretical estimate. This finding demonstrated that a crystal | ||
phase such as ice Ih could show full disorder at 0K, which is in contrast to the prediction from the [[Third law of thermodynamics |third principle of thermodynamics]]. | phase such as ice Ih could show full disorder at 0K, which is in contrast to the prediction from the [[Third law of thermodynamics |third principle of thermodynamics]]. | ||
==References== | ==References== | ||
<references/> | <references/> | ||
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*[http://dx.doi.org/10.1063/1.1808693 Luis G. MacDowell, Eduardo Sanz, Carlos Vega, and José Luis F. Abascal "Combinatorial entropy and phase diagram of partially ordered ice phases", Journal of Chemical Physics '''121''' pp. 10145-10158 (2004)] | *[http://dx.doi.org/10.1063/1.1808693 Luis G. MacDowell, Eduardo Sanz, Carlos Vega, and José Luis F. Abascal "Combinatorial entropy and phase diagram of partially ordered ice phases", Journal of Chemical Physics '''121''' pp. 10145-10158 (2004)] | ||
*[http://dx.doi.org/10.1063/1.2800002 Bernd A. Berg and Wei Yang "Numerical calculation of the combinatorial entropy of partially ordered ice", Journal of Chemical Physics '''127''' 224502 (2007)] | *[http://dx.doi.org/10.1063/1.2800002 Bernd A. Berg and Wei Yang "Numerical calculation of the combinatorial entropy of partially ordered ice", Journal of Chemical Physics '''127''' 224502 (2007)] | ||
[[category: water]] | [[category: water]] |