Highly efficient desalination performance of carbon honeycomb based reverse osmosis membranes unveiled by molecular dynamics simulations

被引:9
|
作者
Qin, Qin [1 ]
Liu, Xingyan [1 ]
Wang, Hanxiao [2 ]
Sun, Tingwei [1 ]
Chu, Fuqiang [3 ]
Xie, Lu [1 ]
Brault, Pascal [4 ]
Peng, Qing [5 ,6 ]
机构
[1] Univ Sci & Technol Beijing, Sch Mech Engn, Beijing 100083, Peoples R China
[2] China Nucl Power Technol Res Inst Co Ltd, Reactor Engn & Safety Res Ctr, Shenzhen 518031, Peoples R China
[3] Univ Sci & Technol Beijing, Sch Energy & Environm Engn, Beijing 100083, Peoples R China
[4] Univ Orleans, GREMI UMR7344 CNRS, BP6744, F-45067 Orleans 2, France
[5] King Fahd Univ Petr & Minerals, Phys Dept, Dhahran 31261, Saudi Arabia
[6] KA CARE Energy Res & Innovat Ctr Dhahran, Dhahran 31261, Saudi Arabia
基金
国家重点研发计划;
关键词
carbon honeycomb; desalination; molecular dynamics simulation; temperature gradient; WATER DESALINATION; PERMEABILITY; DIFFUSION; GRAPHYNE; GRAPHENE;
D O I
10.1088/1361-6528/ac03d8
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Seawater desalination is vital to our modern civilization. Here, we report that the carbon honeycomb (CHC) has an outstanding water permeability and salt rejection in the seawater desalination, as revealed by molecular dynamics simulations. More than 92% of ions are rejected by CHC at applied pressures ranging from 50 to 250 MPa. CHC has a perfect salt rejection at pressures below 150 Mpa. On increasing the applied pressure up to 150 MPa, the salt rejection reduces only to 92%. Pressure, temperature and temperature gradient are noted to play a significant role in modulating the water flux. The water flux increases with pressure and temperature. With the introduction of a temperature gradient of 3.5 K nm(-1), the seawater permeability increases by 33% as compared to room temperature. The water permeability of the CHC is greater than other carbon materials and osmosis membranes including graphene (8.7 times) and graphyne (2.1 times). It indicates the significant potential of the CHC for commercial application in water purification.
引用
收藏
页数:8
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