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Graphene-based woven filter membrane with excellent strength and efficiency for water desalination
Desalination ( IF 8.3 ) Pub Date : 2022-04-16 , DOI: 10.1016/j.desal.2022.115775
Tianyi Liu 1 , Jiahui Lyv 1 , Yihua Xu 1 , Chuanbao Zheng 1, 2 , Yisi Liu 1 , Ran Fu 1 , Lijun Liang 3 , Jianyang Wu 1 , Zhisen Zhang 1
Affiliation  

Nanoporous graphene/graphene oxide (NPGs/NPGOs) has been widely used in desalination because of their high selective separation efficiency. However, it is difficult for NPGs/NPGOs to achieve both high water flux and excellent mechanical properties. In this paper, graphene strips are woven into filter membrane (GWFMs), which can significantly increase mechanical property. Water flux, flow rate, salt rejection and mechanical properties of GWFMs are calculated by molecular dynamics (MD) simulation. Two nanopore size of GWFMs are designed, namely 0.8 nm and 0.6 nm. The tensile strength of GWFM-0.6nm and GWFM-0.8nm are 48.87 GPa and 42.29 GPa, with water flux as high as 18.53 ± 0.99 L cm−2 day−1 MPa−1 and 39.22 ± 2.50 L cm−2 day−1 MPa−1, which are three orders of magnitude higher than existing commercial reverse osmosis membranes in water flux. The free energy profiles of H2O and ions passing through GWFMs show that the free energy barrier difference between water molecules and Na+/Cl can reach ~35 kBT (GWFM-0.6nm), guaranteeing almost 100% desalination efficiency at constant pressure from 10 MPa to 500 MPa during simulation time. Our results provide general framework to design desalination membrane with high water flux and high tensile strength using nano-woven technic.



中文翻译:

基于石墨烯的编织滤膜,具有出色的强度和效率,用于海水淡化

纳米多孔石墨烯/氧化石墨烯(NPGs/NPGOs)因其高选择性分离效率而被广泛用于海水淡化。然而,NPGs/NPGOs 很难同时实现高水通量和优异的机械性能。在本文中,石墨烯条被编织成过滤膜(GWFM),可以显着提高机械性能。GWFM 的水通量、流速、脱盐率和机械性能通过分子动力学 (MD) 模拟计算。设计了 GWFM 的两种纳米孔径,即 0.8 nm 和 0.6 nm。GWFM-0.6nm和GWFM-0.8nm的抗拉强度分别为48.87 GPa和42.29 GPa,水通量高达18.53 ± 0.99 L cm -2  day -1  MPa -1和39.22 ± 2.50 L cm -2  day-1  MPa -1,在水通量方面比现有的商业反渗透膜高三个数量级。通过 GWFM的 H 2 O 和离子的自由能分布表明,水分子和 Na + /Cl -之间的自由能垒差可以达到~35 k B T (GWFM-0.6nm),保证了几乎 100% 的脱盐效率模拟期间从 10 MPa 到 500 MPa 的恒定压力。我们的研究结果为使用纳米编织技术设计具有高水通量和高拉伸强度的海水淡化膜提供了总体框架。

更新日期:2022-04-16
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