Article ID Journal Published Year Pages File Type
7378912 Physica A: Statistical Mechanics and its Applications 2016 9 Pages PDF
Abstract
The model Tip4p/ε for water is tested for the presence of thermodynamic and dynamic anomalies. Molecular dynamic simulations for this model were performed and we show that for this system the density versus temperature at constant pressure exhibits 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 obeys the water hierarchy. The results for the Tip4p-ϵ are consistent with experiments and when compared with the Tip4p-2005 model show similar results for a variety of physical properties and better performance for the dielectric constant.
Related Topics
Physical Sciences and Engineering Mathematics Mathematical Physics
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