Molecular landscape on electrosorption improving the desalination performance using a mixed graphene oxide/graphene nitride membrane

被引:6
作者
Lin, Guojun [1 ]
Perez-Aguilar, Jose Manuel [2 ]
Gu, Zonglin [1 ]
机构
[1] Yangzhou Univ, Coll Phys Sci & Technol, Jiangsu 225009, Peoples R China
[2] Meritorious Autonomous Univ Puebla BUAP, Sch Chem Sci, Univ City 72570, Puebla, Mexico
基金
中国国家自然科学基金;
关键词
Electrosorption; Seawater desalination; Molecular landscape; Molecular dynamics simulation; PARTICLE MESH EWALD; WATER DESALINATION; FUNCTIONALIZED GRAPHENE; POTENTIAL APPLICATIONS; FORCE-FIELD; DYNAMICS; OXIDE; TRANSPORT; BINDING; FABRICATION;
D O I
10.1016/j.molliq.2023.122054
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Electrosorption is an alternative strategy for seawater desalination, which consist in the effective ions separation from seawater to achieve abundant freshwater. However, the molecular landscape of the electrosorption associated with desalination is not fully understood. In this work, we employ a graphene oxide/graphene nitride (GO/GN) membrane to investigate the role of electrosorption in regulating desalination, accompanied by exposing the corresponding molecular mechanism. Our results show that the electric field is capable of intensifying the adsorption of ions inside the GO and GN sheets interiors that composed the desalination membrane filter. Electrosorption induces the robustly strengthened salt rejection, while mildly interfering with the water permeability, indicating that electrosorption increases the desalination performance by improving the salt rejection capacity of the membrane filter rather than enhancing the water permeability. In addition, by evaluation different values of the interval distance, the interlayer spacing, and the applied electric field, optimal parameters for the desalination process are proposed. Therefore, our study exhibits an in-depth molecular mechanism of the critical electrosorption in advancing desalination performance, which is beneficial for an efficient utilization of electrosorption in future desalination application.
引用
收藏
页数:8
相关论文
共 56 条
[1]   Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers [J].
Abraham, Mark James ;
Murtola, Teemu ;
Schulz, Roland ;
Páll, Szilárd ;
Smith, Jeremy C. ;
Hess, Berk ;
Lindah, Erik .
SoftwareX, 2015, 1-2 :19-25
[2]   Comparative study on the electrosorption properties of carbon fabric, functionalized multiwall carbon nanotubes and solar-reduced graphene oxide for flow through electrode based desalination studies [J].
Ahirrao, Dinesh J. ;
Jha, Neetu .
CARBON, 2019, 152 (837-850) :837-850
[3]   Electrodialysis desalination for water and wastewater: A review [J].
Al-Amshawee, Sajjad ;
Yunus, Mohd Yusri Bin Mohd ;
Azoddein, Abdul Aziz Mohd ;
Hassell, David Geraint ;
Dakhil, Ihsan Habib ;
Abu Hasan, Hassimi .
CHEMICAL ENGINEERING JOURNAL, 2020, 380
[4]   Investigations on different two-dimensional materials as slit membranes for enhanced desalination [J].
Ang, Elisa Y. M. ;
Ng, Teng Yong ;
Yeo, Jingjie ;
Lin, Rongming ;
Liu, Zishun ;
Geethalakshmi, K. R. .
JOURNAL OF MEMBRANE SCIENCE, 2020, 598
[5]   Functionalized Graphene Nanosheet as a Membrane for Water Desalination Using Applied Electric Fields: Insights from Molecular Dynamics Simulations [J].
Azamat, Jafar .
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (41) :23883-23891
[6]   Functionalized graphene as a nanostructured membrane for removal of copper and mercury from aqueous solution: A molecular dynamics simulation study [J].
Azamat, Jafar ;
Khataee, Alireza ;
Joo, Sang Woo .
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 53 :112-117
[7]   THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].
BERENDSEN, HJC ;
GRIGERA, JR ;
STRAATSMA, TP .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271
[8]   Water Desalination with Two-Dimensional Metal-Organic Framework Membranes [J].
Cao, Zhonglin ;
Liu, Vincent ;
Farimani, Amir Barati .
NANO LETTERS, 2019, 19 (12) :8638-8643
[9]   Multilayer Nanoporous Graphene Membranes for Water Desalination [J].
Cohen-Tanugi, David ;
Lin, Li-Chiang ;
Grossman, Jeffrey C. .
NANO LETTERS, 2016, 16 (02) :1027-1033
[10]   Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination [J].
Cohen-Tanugi, David ;
Grossman, Jeffrey C. .
JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (07)