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Memorias de investigación
Ponencias en congresos:
Effect of a electric field on the melting temperature, nucleation and ice growth rate of TIP4P/ICE water model
Año:2017
Áreas de investigación
  • Química atmosférica y ambiental,
  • Dinámica molecular,
  • Termodinámica
Datos
Descripción
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.
Internacional
No
Nombre congreso
WaterSpain 2017
Tipo de participación
970
Lugar del congreso
Zaragoza
Revisores
Si
ISBN o ISSN
DOI
Fecha inicio congreso
06/07/2017
Fecha fin congreso
07/07/2017
Desde la página
Hasta la página
Título de las actas
Esta actividad pertenece a memorias de investigación
Participantes
  • 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)
Grupos de investigación, Departamentos, Centros e Institutos de I+D+i relacionados
  • Creador: Grupo de Investigación: Polímeros, Caracterización y Aplicaciones
  • Departamento: Ingeniería Química Industrial y del Medio Ambiente
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