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arXiv · 1508.01972

Thermodynamic and dynamic anomalous behavior in the TIP4P/{\epsilon} water model

Raul Fuentes-Azcatl·Marcia C. Barbosa
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Abstract

The model Tip4p/{\epsilon} for water is tested for the presence of thermodynamic and dy- namic anomalies. Molecular dynamic simulations for this model were performed and we show that for this system the density versus temperature at constant pressure ex- hibits a maximum. In addition we also show that the diffusion coefficient versus density at constant temperature has a maximum and a minimum. The anomalous behavior of the density and of the diffusion coefficient obey the water hierachy. The results for the Tip4p- are consistent with experiments and when compared with the Tip4p-2005 model show similar results a variety of physical properties and better performance for the dielectric constant.

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Raul Fuentes-Azcatl, Marcia C. Barbosa. 2015-08-08. Thermodynamic and dynamic anomalous behavior in the TIP4P/{\epsilon} water model. https://arxiv.org/abs/1508.01972

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