Difference between revisions of "Ice Ih"

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m (Started a section on the Phonon density of states)
m (Phonon density of states: Chenged internal link.)
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In
 
In
 
<ref>[http://dx.doi.org/10.1016/S0921-4526(99)01699-3  Shunle Dong and Jichen Li "The test of water potentials by simulating the vibrational dynamics of ice", Physica B '''276-278''' pp. 469-470 (2000)  ]</ref>
 
<ref>[http://dx.doi.org/10.1016/S0921-4526(99)01699-3  Shunle Dong and Jichen Li "The test of water potentials by simulating the vibrational dynamics of ice", Physica B '''276-278''' pp. 469-470 (2000)  ]</ref>
the phonon density of states for the [[POL1]], [[TIPS2]], [[TIP4P]], [[TIP3P]], [[SPC]], [[R|Rowlinson]], [[MCY]], and [[BF]] [[List of empirical water models |empirical water models]] are compared to experiment.
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the phonon density of states for the [[POL1]], [[TIPS2]], [[TIP4P]], [[TIP3P]], [[SPC]], [[R|Rowlinson]], [[MCY]], and [[BF]] [[water models | models for water]] are compared to experiment.
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==Experimental data==
 
==Experimental data==
 
*[http://dx.doi.org/10.1063/1.2183324  Rainer Feistel and Wolfgang Wagner "A New Equation of State for H2O Ice Ih", Journal of Physical and Chemical Reference Data '''35''' pp. 1021- (2006)]
 
*[http://dx.doi.org/10.1063/1.2183324  Rainer Feistel and Wolfgang Wagner "A New Equation of State for H2O Ice Ih", Journal of Physical and Chemical Reference Data '''35''' pp. 1021- (2006)]

Revision as of 12:01, 12 June 2009

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Ice Ih (hexagonal ice) is a proton disordered ice phase having the space group P63/mmc. Ice Ih has the following lattice parameters at 250 K: a=4.51842 Å, b=a\sqrt3, and c=7.35556 Å with four molecules per unit cell (in Table 3 of [1]). The proton ordered form of ice Ih is known as ice XI, which (in principle) forms when ice Ih is cooled to below 72K (it is usually doped with KOH to aid the transition).

Phonon density of states

In [2] the phonon density of states for the POL1, TIPS2, TIP4P, TIP3P, SPC, Rowlinson, MCY, and BF models for water are compared to experiment.

Experimental data

References

Related reading