Combinatorial entropy and phase diagram of partially ordered ice phases.

@article{Macdowell2004CombinatorialEA,
  title={Combinatorial entropy and phase diagram of partially ordered ice phases.},
  author={Luis G Macdowell and Eduardo Sanz and Carlos Vega and Jos{\'e} L F Abascal},
  journal={The Journal of chemical physics},
  year={2004},
  volume={121 20},
  pages={10145-58}
}
A close analytical estimate for the combinatorial entropy of partially ordered ice phases is presented. The expression obtained is very general, as it can be used for any ice phase obeying the Bernal-Fowler rules. The only input required is a number of crystallographic parameters, and the experimentally observed proton site occupancies. For fully disordered… CONTINUE READING