力电耦合作用下多孔石墨烯膜时间维度的脱盐性能及机理研究

doi:10.11949/0438-1157.20230106

化工学报 ›› 2023, Vol. 74 ›› Issue (5): 2067-2074.DOI: 10.11949/0438-1157.20230106

力电耦合作用下多孔石墨烯膜时间维度的脱盐性能及机理研究

顾浩¹(), 张福建¹, 刘珍³, 周文轩¹, 张鹏¹, 张忠强¹^,²^,⁴()

^1.江苏大学智能柔性机械电子研究院，江苏镇江 212013
^2.常州大学江苏省光伏科学与工程协同创新中心，江苏常州 213164
^3.江苏科技大学船舶与海洋工程学院，江苏镇江 212013
^4.大连理工大学工业装备结构分析国家重点实验室，辽宁大连 116023

收稿日期:2023-02-13 修回日期:2023-04-21 出版日期:2023-05-05 发布日期:2023-06-29
通讯作者: 张忠强
作者简介:顾浩（1997—），男，硕士研究生，2212003012@stmail.ujs.edu.cn
基金资助:
国家自然科学基金项目(12272151)

Desalination performance and mechanism of porous graphene membrane in temporal dimension under mechanical-electrical coupling

Hao GU¹(), Fujian ZHANG¹, Zhen LIU³, Wenxuan ZHOU¹, Peng ZHANG¹, Zhongqiang ZHANG¹^,²^,⁴()

^1.Institute of Intelligent Flexible Mechatronics, Jiangsu University, Zhenjiang 212013, Jiangsu, China
^2.Jiangsu Collaborative Innovation Center of Photovoltaic Science and Engineering, Changzhou University, Changzhou 213164, Jiangsu, China
^3.School of Naval Architecture and Ocean Engineering, Jiangsu University of Science and Technology, Zhenjiang 212013, Jiangsu, China
^4.State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116023, Liaoning, China

Received:2023-02-13 Revised:2023-04-21 Online:2023-05-05 Published:2023-06-29
Contact: Zhongqiang ZHANG

摘要/Abstract

摘要：

海水淡化时间选择性原理是利用流固界面边界滑移来实现大孔径多孔石墨烯反渗透膜的高效脱盐。采用分子动力学方法，对旋转的多孔石墨烯反渗透模型施加电场，进一步调控多孔石墨烯-海水的边界滑移，探索力电耦合效应对多孔石墨烯脱盐性能的影响规律。结果表明，施加电场导致多孔石墨烯-海水的界面摩擦增大，供给端流固边界滑移速度减小。但重要的是，施加电场可以使多孔石墨烯反渗透膜的水通量较未施加电场时提升约12%，虽然此时盐离子截留率略有降低，但仍保持在90%以上。通过分析盐离子通过纳米孔的能障和水分子的平均氢键数，深入阐明了电场对多孔石墨烯时间维度脱盐性能的影响。

关键词: 脱盐, 膜, 分子模拟, 时间维度选择性, 多孔石墨烯, 力电耦合

Abstract:

The temporal selectivity principle of desalination realizes the efficient desalination of porous graphene membranes with large pore size through fluid-solid interface boundary slip. Using the molecular dynamics method, an electric field is applied to the rotating porous graphene reverse osmosis model to further regulate the boundary slip between porous graphene and seawater, and to explore the influence of the electromechanical coupling effect on the desalination performance of porous graphene. The results show that the application of electric field increases the interfacial friction of porous graphene-seawater and decreases the slip velocity of fluid-solid boundary at the supply end. But importantly, the application of electric field can increase the water flux of porous graphene reverse osmosis membrane by about 12% compared with that without the application of electric field, when the salt rejection, though slightly reduced, still remains above 90%. In addition, by analyzing the energy barrier of salt ions passing through nanopores and the average hydrogen bonding number of water molecules, the influence of electric field on the temporal-dimension desalination performance of porous graphene was elucidated in depth. The results extend the application of temporal selectivity principle and will promote the engineering applications of nanoporous graphene membranes in the fields of seawater desalination and water treatment.

Key words: desalination, membrane, molecular simulation, temporal selectivity, porous graphene, mechanical-electrical coupling

中图分类号:

P 747⁺.5

顾浩, 张福建, 刘珍, 周文轩, 张鹏, 张忠强. 力电耦合作用下多孔石墨烯膜时间维度的脱盐性能及机理研究[J]. 化工学报, 2023, 74(5): 2067-2074.

Hao GU, Fujian ZHANG, Zhen LIU, Wenxuan ZHOU, Peng ZHANG, Zhongqiang ZHANG. Desalination performance and mechanism of porous graphene membrane in temporal dimension under mechanical-electrical coupling[J]. CIESC Journal, 2023, 74(5): 2067-2074.

图/表 7

图1 旋转多孔GC膜反渗透模型及多孔GC膜表面的电荷分布

Fig.1 Schematic diagram of the rotating porous GC membrane reverse osmosis model and the charge distribution on the surface of the porous GC membrane

图2 多孔GC膜的水通量和盐离子截留率与角速度、碳原子上电荷量q的关系

Fig.2 Water flux and salt rejection versus angular velocity of the porous GC membrane and the charge magnitude q on carbon atoms

图3 不同条件下多孔GC膜内海水的速度分布以及相对应的边界滑移速度

Fig.3 Velocity profiles of seawater confined in the porous GC membrane and corresponding boundary slip velocity under different conditions

图4 界面摩擦因数与碳原子上电荷量q的关系

Fig.4 Interfacial friction coefficient versus the charge magnitude q on carbon atoms

图5 不同条件下盐离子截留率与边界滑移速度的关系

Fig.5 Salt rejection versus boundary slip velocity under different conditions

图6 不同条件下钠离子通过纳米孔的PMF (1 kcal/mol=4.184 kJ/mol)

Fig.6 PMF of sodium ions passing through nanopores under different conditions

图7 不同条件下端口区每个水分子的平均氢键数以及相对应的水通量

Fig.7 Average number of hydrogen bonding (HB) per water molecule in the port region under different conditions and the corresponding water flux

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力电耦合作用下多孔石墨烯膜时间维度的脱盐性能及机理研究

Desalination performance and mechanism of porous graphene membrane in temporal dimension under mechanical-electrical coupling

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