Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes: A molecular simulation study

Jie Liu; Xiaoyan Tan; Yibo Xu; Zijuan Li; Yanan Xue; Faquan Yu

doi:10.1016/j.cjche.2025.05.033

Your Location：

Home >

Browse articles >

Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes: A molecular simulation study

Updated：2026-02-12

- Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes: A molecular simulation study
- Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes: A molecular simulation study
- 中国化学工程学报（英文版） 2025年87卷第11期页码：313-322
- Affiliations：
  
  Hubei Key Laboratory for Novel Reactor and Green Chemistry Technology, WIT-Qianjiang Research Institute of Green Chemical Industry, School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology,Wuhan,China,430205
- Author bio：
- Funds：
  
  This work was supported by the National Natural Science Foundation of China (22078251, 21706197);the Open Project of Hubei Key Laboratory of Novel Reactor and Green Chemical Technology (NRG202407);the Ministry-of-Education, Key Laboratory for the Synthesis and Application of Organic Functional Molecules (KLSAOFM2511);the Graduate Innovative Fund of Wuhan Institute of Technology (CX2023024).
- DOI：10.1016/j.cjche.2025.05.033
  中图分类号：
- 纸质出版：2025
- Accepted：
Scan QR Code
Jie Liu, Xiaoyan Tan, Yibo Xu, 等. Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes: A molecular simulation study[J]. 中国化学工程学报（英文版）, 2025,87(11):313-322.

Jie Liu, Xiaoyan Tan, Yibo Xu, Zijuan Li, Yanan Xue, Faquan Yu. Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes: A molecular simulation study[J]. Chinese Journal of Chemical Engineering, 2025, 87(11): 313-322.
Jie Liu, Xiaoyan Tan, Yibo Xu, 等. Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes: A molecular simulation study[J]. 中国化学工程学报（英文版）, 2025,87(11):313-322. DOI： 10.1016/j.cjche.2025.05.033.

Jie Liu, Xiaoyan Tan, Yibo Xu, Zijuan Li, Yanan Xue, Faquan Yu. Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes: A molecular simulation study[J]. Chinese Journal of Chemical Engineering, 2025, 87(11): 313-322. DOI： 10.1016/j.cjche.2025.05.033.

摘要

Abstract

The emerging two-dimensional (2D) membranes offer a promising way to improve the water desalination performance of traditional membranes. MXene/graphene oxide (GO) composite membrane are known for their high separation performance and structural stability. In this study

molecular simulations are performed to investigate the desalination performance of the 2D MXene/GO membrane. The results reveal that the surface of the MXene nanosheet could induce the formation of ordered water structures

thereby accelerating the water transport in the 2D membrane. The higher rejection rate would be found in MXene/GO membrane with a larger GO oxidation degree owing to the steric-hindrance effect induced by the functional groups on the GO surface. Overall

the MXene/GO(20) membrane with the interlayer spacing of 0.9 nm shows the highest water permeability (37.22 × 10

-7

L·m

-1

·h

-1

·bar

-1

1 bar = 0.1 MPa) and a salt rejection of 100%. The results could provide theoretical insights for developing 2D membranes for water desalination.

关键词

Keywords

references

浏览量

Downloads

CSCD

文章被引用时，请邮件提醒。

Submit

工具集

关联资源

Nanofiltration membranes embedded with thermo-responsive nanocapsules for crude glycerol desalination

Copper hexacyanoferrate framework with dual redox centers for selective lithium extraction in hybrid capacitive deionization

Graphene oxide-polyethyleneimene-silicon dioxide nanocomposite-doped polysulfone ultrafiltration membrane oily water treatment

Graphene oxide framework membranes intercalated by poly(sodium 4-styrenesulfonate) for efficient desalination

Green and low-viscosity deep eutectic solvents for the extraction of quinoline from wash oil: Experimental investigation and molecular dynamics simulation