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Updated: Jul 19, 2026

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
Published on: August 18, 2022
Computer simulation of two new solid phases of water: Ice XIII and ice XIV
Maria Martin-Conde1, Luis G MacDowell, Carlos Vega
1Departamento de Quimica Fisica, Facultad de Ciencias Quimicas, Universidad Complutense, 28040 Madrid, Spain.
Abstract:
NpT Monte Carlo simulations have been performed for two recently discovered solid phases of water which have been denoted as ice XIII and ice XIV C. G. Salzmann et al. [Science311, 1758 (2006)]. Several potential models of water were considered, namely, the traditional SPC/E, TIP4P, and TIP5P and the more recent TIP5P-E, TIP4P-Ew, TIP4P/Ice, and TIP4P/2005 models. Significant differences in density and oxygen-oxygen radial distribution functions are found between the predictions of the SPC/E, TIP5P, and the models of the TIP4P family. The models TIP4P/Ice and TIP4P/2005 provide the best estimates of the density.
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