@article {9924,
	title = {Observations of High-Density Ferroelectric Ordered Water in Kaolinite Trenches using Monte Carlo Simulations.},
	journal = {Journal of Physical Chemistry A},
	volume = {114},
	year = {2010},
	note = {CAPLUS AN 2010:946714(Journal)},
	month = {2010///},
	pages = {8396 - 8405},
	publisher = {American Chemical Society},
	abstract = {Grand canonical Monte Carlo simulations are employed to investigate the structure of water adsorbed on kaolinite surfaces with trenchlike defects. The results obtained for two water models (SPC/E and TIP5P-E) at 235 K are essentially the same. Calcn. of water d. profiles in all three dimensions shows that a dense ordered state is present in our trench systems. The narrowest trenches have the highest water d. and display clearly layered structures along the width and depth of a trench. The water within a trench shows distinct proton order and is strongly ferroelec. These ordered structures might be important in the initial stages of nucleation and growth of ice on kaolinite surfaces. [on SciFinder(R)]},
	keywords = {structure water kaolinite surface trenchlike defect},
	isbn = {1089-5639},
	author = {Croteau, T. and Bertram, A. K. and Patey, G. N.}
}
