Acceleration of aqueous nano-film evaporation by applying parallel electric field: A molecular dynamics simulation

Bing Bing Wang, Hao Han Zhang, Zhi Ming Xu, Xiao Dong Wang, Qi Zhao, Wei Mon Yan (Lead / Corresponding author)

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)
131 Downloads (Pure)

Abstract

In this work, molecular dynamics simulation has been applied to investigate the influence of external electric field on the evaporation of the aqueous nano-film. The evaporation of the aqueous nano-film with 2240 water molecules and 50 NaCl on a gold (1 0 0) surface is analyzed at the electric fields with various intensities (0, 0.05, 0.1, 0.2 and 0.3 V nm −1 ) and directions. The predictions show that the evaporation of aqueous film is remarkably enhanced when the electric field E x = 0.2 or 0.3 V nm −1 is parallel to the aqueous film surface. It is also noted that free ions in the aqueous film are accelerated under the action of the higher E x and water molecules in the hydration shell move together with the ions due to the hydration effect. As a result, the interaction between water molecules decreases, which is responsible for increasing the evaporation of the aqueous film under the action of the higher E x . While applying the electric field E y = ±0.3 V nm −1 perpendicular to the aqueous film, ions cannot be in accelerated motion due to the existence of a solid-liquid interface and a liquid-gas surface in y-direction. Therefore, the evaporation enhancement is much lower than that of the aqueous film under the action of the E x .

Original languageEnglish
Pages (from-to)68-74
Number of pages7
JournalInternational Journal of Heat and Mass Transfer
Volume138
Early online date12 Apr 2019
DOIs
Publication statusPublished - Aug 2019

Keywords

  • Aqueous nano-film
  • Electric field
  • Evaporation
  • Hydration effect
  • Molecular dynamics simulation

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