Effect of a DC Electric field on the melting temperature, nucleation and ice growth rate of the TIP4P/ICE water model

Ramírez, Jorge and Zaragoza, A. and Espinosa, J. R. and Ramos Hortal, Regina and Cobos Márquez, José Antonio and Vega, C. and Sanz, E. and Valeriani, C. (2017). Effect of a DC Electric field on the melting temperature, nucleation and ice growth rate of the TIP4P/ICE water model. In: "American Chemical Society Division of Medicinal Chemistry 254th ACS National Meeting", August 20-24, 2017, Washington DC. p. 1.

Description

Title: Effect of a DC Electric field on the melting temperature, nucleation and ice growth rate of the TIP4P/ICE water model
Author/s:
  • Ramírez, Jorge
  • Zaragoza, A.
  • Espinosa, J. R.
  • Ramos Hortal, Regina
  • Cobos Márquez, José Antonio
  • Vega, C.
  • Sanz, E.
  • Valeriani, C.
Item Type: Presentation at Congress or Conference (Poster)
Event Title: American Chemical Society Division of Medicinal Chemistry 254th ACS National Meeting
Event Dates: August 20-24, 2017
Event Location: Washington DC
Title of Book: American Chemical Society Division of Medicinal Chemistry 254th ACS National Meeting
Date: 2017
Subjects:
Faculty: E.T.S.I. Industriales (UPM)
Department: Automática, Ingeniería Eléctrica y Electrónica e Informática Industrial
Creative Commons Licenses: Recognition - No derivative works - Non commercial

Full text

[img]
Preview
PDF - Requires a PDF viewer, such as GSview, Xpdf or Adobe Acrobat Reader
Download (2MB) | Preview

Abstract

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 (Tm), ice nucleation and ice growth rate of two phases of ice, hexagonal ice (Ih) and ferroelectric cubic ice (Icf), for the TIP4P/ICE water model. By means of direct coexistence simulations, we establish that Tm of Ice Ih is shifted toward lower values, whereas Tm of Ice Icf grows, becoming the most stable ice phase for sufficiently largevalues 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 Tm, 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 Ice Ih and increases that of Ice Icf by a factor of about two.

More information

Item ID: 51091
DC Identifier: http://oa.upm.es/51091/
OAI Identifier: oai:oa.upm.es:51091
Official URL: https://www.acsmedchem.org/?nd=ACS-NationalAbstracts
Deposited by: Memoria Investigacion
Deposited on: 07 Aug 2018 18:35
Last Modified: 07 Aug 2018 18:35
  • Logo InvestigaM (UPM)
  • Logo GEOUP4
  • Logo Open Access
  • Open Access
  • Logo Sherpa/Romeo
    Check whether the anglo-saxon journal in which you have published an article allows you to also publish it under open access.
  • Logo Dulcinea
    Check whether the spanish journal in which you have published an article allows you to also publish it under open access.
  • Logo de Recolecta
  • Logo del Observatorio I+D+i UPM
  • Logo de OpenCourseWare UPM