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 journalArticle

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

Fingerprint

Molecular dynamics
Evaporation
Electric fields
evaporation
molecular dynamics
electric fields
Computer simulation
simulation
Ions
Hydration
Molecules
hydration
Water
water
molecules
ions
Liquids
liquid-solid interfaces
Gold
Gases

Keywords

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

Cite this

Wang, Bing Bing ; Zhang, Hao Han ; Xu, Zhi Ming ; Wang, Xiao Dong ; Zhao, Qi ; Yan, Wei Mon. / Acceleration of aqueous nano-film evaporation by applying parallel electric field : A molecular dynamics simulation. In: International Journal of Heat and Mass Transfer. 2019 ; Vol. 138. pp. 68-74.
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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 .",
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Acceleration of aqueous nano-film evaporation by applying parallel electric field : A molecular dynamics simulation. / Wang, Bing Bing; Zhang, Hao Han; Xu, Zhi Ming; Wang, Xiao Dong; Zhao, Qi; Yan, Wei Mon (Lead / Corresponding author).

In: International Journal of Heat and Mass Transfer, Vol. 138, 08.2019, p. 68-74.

Research output: Contribution to journalArticle

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T1 - Acceleration of aqueous nano-film evaporation by applying parallel electric field

T2 - A molecular dynamics simulation

AU - Wang, Bing Bing

AU - Zhang, Hao Han

AU - Xu, Zhi Ming

AU - Wang, Xiao Dong

AU - Zhao, Qi

AU - Yan, Wei Mon

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