Memorias de investigación
Communications at congresses:
Effect of a electric field on the melting temperature, nucleation and ice growth rate of TIP4P/ICE water model

Research Areas
  • Atmospheric and environmental chemistry,
  • Molecular dynamic,
  • Thermodynamics

Understanding the effect of electric fields on the thermal stability and phase transitions of water could have potential applications in the food industry, cryopreservation, and environmental science. In this work, we investigate the effect of a static electric field on the melting temperature, ice nucleation and ice growth rate of two phases of ice, hexagonal ice (Ih) and ferroelectric cubic ice (Icf), for TIP4P/ICE [1] water. By means of direct coexistence simulations, we establish that the melting temperature of Ice Ih is shifted toward lower values, whereas the melting point of Ice Icf grows, becoming the most stable ice phase for sufficiently large values of the applied electric field. We also investigate ice nucleation for both ice phases under an external electric field and find that, for a given supercooling with respect to the melting point, while the field slows down the nucleation rate of ice Ih significantly, it barely affects that of ice Icf, due to the enhanced ability of water molecules to orient favorably along the direction of the field in the latter phase. In terms of absolute temperature, overall ice formation is promoted by the electric field because it increases the melting point of ice Icf. Finally, we show how the electric field slows down the crystal growth of both phases of ice by a factor of about two.
WaterSpain 2017
Start Date
End Date
From page
To page
  • Autor: Jorge Ramirez Garcia UPM
  • Autor: Alberto Zaragoza Universidad Complutense de Madrid
  • Autor: Jorge R. Espinosa Universidad Complutense de Madrid
  • Autor: Maria Regina Ramos Hortal UPM
  • Autor: Jose Antonio Cobos Marquez UPM
  • Autor: Carlos Vega Universidad Complutense de Madrid
  • Autor: Eduardo Sanz Universidad Complutense de Madrid
  • Autor: Chantal Valeriani Universidad Complutense de Madrid

Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Polímeros, Caracterización y Aplicaciones
  • Departamento: Ingeniería Química Industrial y del Medio Ambiente