Probing the coalescence mechanism of water droplet and Oil/Water interface in demulsification process under DC electric field
[Display omitted] •Droplet-interface electrocoalescence was studied via molecular dynamics.•Dipole-dipole force mainly comes from the charge accumulation effect at interface.•Electric field could weaken the interaction between water molecules.•Ec for droplet-interface partial coalescence has a linea...
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| Published in | Separation and purification technology Vol. 326; p. 124798 |
|---|---|
| Main Authors | , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier B.V
01.12.2023
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1383-5866 1873-3794 |
| DOI | 10.1016/j.seppur.2023.124798 |
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| Abstract | [Display omitted]
•Droplet-interface electrocoalescence was studied via molecular dynamics.•Dipole-dipole force mainly comes from the charge accumulation effect at interface.•Electric field could weaken the interaction between water molecules.•Ec for droplet-interface partial coalescence has a linear relationship with r0−0.5.
Under electric fields, coalescence of water droplets in oil media and bulk water (droplet-interface coalescence) is a significant phenomenon during the electrostatic process of water-in-oil (W/O) emulsion. In order to reveal the microscopic mechanism of droplet-interface coalescence, MD simulations and high-speed imaging were performed to study the influence of droplet size (r0) and electric field strength (E) on the coalescence process between water layer and droplet in oil. The findings suggested that the molecular arrangement of water molecules was altered at applied electric fields, resulting in a weakened interaction force and an increased spacing between water molecules. The droplet-interface coalescence process could be classified into five temporal regimes, under the mutual effect of the associated intermolecular interactions (Coulomb interaction and van der Waals interaction) and external electric field. The interfacial charge density reached a high value of 0.15 e·nm−3 due to the charge orientation, leading to dipole–dipole interaction between the droplet and water layer. Driven by both applied electric field and polarized charge, when E = 0.44 V·nm−1, the droplet with a diameter of 6 nm had the shortest coalescence period, only 370 ps. The critical field strength (Ec) required to prevent complete coalescence between nano-droplets and oil–water interface increased approximately linearly with r0−0.5. This work has revealed the molecular interaction mechanism of electro-coalescence between water droplets and oil/water interface, and provides useful insights into the electrostatic demulsification. |
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| AbstractList | [Display omitted]
•Droplet-interface electrocoalescence was studied via molecular dynamics.•Dipole-dipole force mainly comes from the charge accumulation effect at interface.•Electric field could weaken the interaction between water molecules.•Ec for droplet-interface partial coalescence has a linear relationship with r0−0.5.
Under electric fields, coalescence of water droplets in oil media and bulk water (droplet-interface coalescence) is a significant phenomenon during the electrostatic process of water-in-oil (W/O) emulsion. In order to reveal the microscopic mechanism of droplet-interface coalescence, MD simulations and high-speed imaging were performed to study the influence of droplet size (r0) and electric field strength (E) on the coalescence process between water layer and droplet in oil. The findings suggested that the molecular arrangement of water molecules was altered at applied electric fields, resulting in a weakened interaction force and an increased spacing between water molecules. The droplet-interface coalescence process could be classified into five temporal regimes, under the mutual effect of the associated intermolecular interactions (Coulomb interaction and van der Waals interaction) and external electric field. The interfacial charge density reached a high value of 0.15 e·nm−3 due to the charge orientation, leading to dipole–dipole interaction between the droplet and water layer. Driven by both applied electric field and polarized charge, when E = 0.44 V·nm−1, the droplet with a diameter of 6 nm had the shortest coalescence period, only 370 ps. The critical field strength (Ec) required to prevent complete coalescence between nano-droplets and oil–water interface increased approximately linearly with r0−0.5. This work has revealed the molecular interaction mechanism of electro-coalescence between water droplets and oil/water interface, and provides useful insights into the electrostatic demulsification. |
| ArticleNumber | 124798 |
| Author | Li, Ning Sun, Xiaoyu Li, Bin Tang, Tian Zeng, Hongbo Pang, Yunhui Li, Wangqing Sun, Zhiqian Wang, Zhenbo |
| Author_xml | – sequence: 1 givenname: Ning surname: Li fullname: Li, Ning organization: College of New Energy, China University of Petroleum (East China), Qingdao 266580, China – sequence: 2 givenname: Yunhui surname: Pang fullname: Pang, Yunhui organization: College of New Energy, China University of Petroleum (East China), Qingdao 266580, China – sequence: 3 givenname: Zhiqian surname: Sun fullname: Sun, Zhiqian email: sunzhq@upc.edu.cn organization: College of New Energy, China University of Petroleum (East China), Qingdao 266580, China – sequence: 4 givenname: Zhenbo surname: Wang fullname: Wang, Zhenbo email: wangzhb@upc.edu.cn organization: College of New Energy, China University of Petroleum (East China), Qingdao 266580, China – sequence: 5 givenname: Xiaoyu surname: Sun fullname: Sun, Xiaoyu organization: Department of Chemical and Materials Engineering, University of Alberta, Edmonton, AB T6G1H9, Canada – sequence: 6 givenname: Tian surname: Tang fullname: Tang, Tian organization: Department of Mechanical Engineering, University of Alberta, Edmonton, AB T6G1H9, Canada – sequence: 7 givenname: Bin surname: Li fullname: Li, Bin organization: School of Energy and Power Engineering, Jiangsu University, Zhenjiang 212013, China – sequence: 8 givenname: Wangqing surname: Li fullname: Li, Wangqing organization: College of New Energy, China University of Petroleum (East China), Qingdao 266580, China – sequence: 9 givenname: Hongbo surname: Zeng fullname: Zeng, Hongbo email: Hongbo.Zeng@ualberta.ca organization: Department of Chemical and Materials Engineering, University of Alberta, Edmonton, AB T6G1H9, Canada |
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•Droplet-interface electrocoalescence was studied via molecular dynamics.•Dipole-dipole force mainly comes from the charge accumulation... |
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| StartPage | 124798 |
| SubjectTerms | Coalescence Droplet-interface Electric field Intermolecular interaction Molecular dynamics |
| Title | Probing the coalescence mechanism of water droplet and Oil/Water interface in demulsification process under DC electric field |
| URI | https://dx.doi.org/10.1016/j.seppur.2023.124798 |
| Volume | 326 |
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