scholarly journals Efficient water desalination with graphene nanopores obtained using artificial intelligence

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Yuyang Wang ◽  
Zhonglin Cao ◽  
Amir Barati Farimani
Keyword(s):  
Artificial Intelligence ◽  
Energy Efficient ◽  
Water Flux ◽  
Rejection Rate ◽  
Md Simulations ◽  
High Water ◽  
Water Desalination ◽  
Ion Rejection ◽  
And Topology ◽  
Key Factor

AbstractTwo-dimensional nanomaterials, such as graphene, have been extensively studied because of their outstanding physical properties. Structure and topology of nanopores on such materials can be important for their performances in real-world engineering applications, like water desalination. However, discovering the most efficient nanopores often involves a very large number of experiments or simulations that are expensive and time-consuming. In this work, we propose a data-driven artificial intelligence (AI) framework for discovering the most efficient graphene nanopore for water desalination. Via a combination of deep reinforcement learning (DRL) and convolutional neural network (CNN), we are able to rapidly create and screen thousands of graphene nanopores and select the most energy-efficient ones. Molecular dynamics (MD) simulations on promising AI-created graphene nanopores show that they have higher water flux while maintaining rival ion rejection rate compared to the normal circular nanopores. Irregular shape with rough edges geometry of AI-created pores is found to be the key factor for their high water desalination performance. Ultimately, this study shows that AI can be a powerful tool for nanomaterial design and screening.

scholarly journals A zeolite-like aluminophosphate membrane with molecular-sieving property for water desalination

2018 ◽  
Vol 9 (9) ◽  
pp. 2533-2539 ◽  
Author(s):  
Yanju Wang ◽  
Xiaoqin Zou ◽  
Lei Sun ◽  
Huazhen Rong ◽  
Guangshan Zhu
Keyword(s):  
Water Uptake ◽  
Water Flux ◽  
High Water ◽  
Water Desalination ◽  
Membrane Material ◽  
Ion Rejection ◽  
Molecular Sieving

A fascinating membrane material composed of polycrystalline zeolite-like aluminophosphate with narrow pore and high water uptake is well developed, which exhibits superior desalination performance in terms of excellent ion rejection and record water flux.

scholarly journals Cross-Linking With Diamine Monomers to Prepare Graphene Oxide Composite Membranes With Varying D-Spacing for Enhanced Desalination Properties

2021 ◽  
Vol 9 ◽  
Author(s):  
Hong Ju ◽  
Jinzhuo Duan ◽  
Haitong Lu ◽  
Weihui Xu
Keyword(s):  
Graphene Oxide ◽  
Photoelectron Spectroscopy ◽  
Water Flux ◽  
Covalent Bond ◽  
Composite Membranes ◽  
Rejection Rate ◽  
High Water ◽  
Cross Linking ◽  
Separation Performance ◽  
X Ray

As a new type of membrane material, graphene oxide (GO) can easily form sub-nanometer interlayer channels, which can effectively screen salt ions. The composite membrane and structure with a high water flux and good ion rejection rate were compared by the cross-linking of GO with three different diamine monomers: ethylenediamine (EDA), urea (UR), and p-phenylenediamine (PPD). X-ray photoelectron spectroscopy (XPS) results showed that unmodified GO mainly comprises π-π interactions and hydrogen bonds, but after crosslinking with diamine, both GO and mixed cellulose (MCE) membranes are chemically bonded to the diamine. The GO-UR/MCE membrane achieved a water flux similar to the original GO membrane, while the water flux of GO-PPD/MCE and GO-EDA/MCE dropped. X-ray diffraction results demonstrated that the covalent bond between GO and diamine can effectively inhibit the extension of d-spacing during the transition between dry and wet states. The separation performance of the GO-UR/MCE membrane was the best. GO-PPD/MCE had the largest contact angle and the worst hydrophilicity, but its water flux was still greater than GO-EDA/MCE. This result indicated that the introduction of different functional groups during the diamine monomer cross-linking of GO caused some changes in the performance structure of the membrane.

Graphene membranes with nanoslits for seawater desalination via forward osmosis

2017 ◽  
Vol 19 (45) ◽  
pp. 30551-30561 ◽  
Author(s):  
Madhavi Dahanayaka ◽  
Bo Liu ◽  
Zhongqiao Hu ◽  
Qing-Xiang Pei ◽  
Zhong Chen ◽  
...  
Keyword(s):  
Water Flux ◽  
Forward Osmosis ◽  
High Water ◽  
Seawater Desalination ◽  
Graphene Membrane ◽  
Ion Rejection ◽  
Slit Pore ◽  
Graphene Membranes

A slit-pore stacked graphene membrane shows promising forward osmosis performance with high water flux and ion rejection.

Water desalination of a new three-dimensional covalent organic framework: a molecular dynamics simulation study

2020 ◽  
Vol 22 (29) ◽  
pp. 16978-16984 ◽  
Author(s):  
Yifan Zhang ◽  
Timing Fang ◽  
Quangang Hou ◽  
Zhen Li ◽  
Youguo Yan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Water Permeability ◽  
Three Dimensional ◽  
Rejection Rate ◽  
High Water ◽  
High Density ◽  
Water Desalination ◽  
Dynamics Simulation

Preparing a nanoporous membrane with high density and ordered pore sizes which allows high water permeability and salt rejection rate is the key to realize highly efficient desalination.

scholarly journals Membrane and Electrochemical Processes for Water Desalination: A Short Perspective and the Role of Nanotechnology

Membranes ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 280
Author(s):  
Moon Son ◽  
Kyung Hwa Cho ◽  
Kwanho Jeong ◽  
Jongkwan Park
Keyword(s):  
Energy Consumption ◽  
Operating Cost ◽  
Water Flux ◽  
High Water ◽  
High Energy ◽  
Electrochemical Process ◽  
Water Desalination ◽  
The Past ◽  
Electrochemical Processes

In the past few decades, membrane-based processes have become mainstream in water desalination because of their relatively high water flux, salt rejection, and reasonable operating cost over thermal-based desalination processes. The energy consumption of the membrane process has been continuously lowered (from >10 kWh m−3 to ~3 kWh m−3) over the past decades but remains higher than the theoretical minimum value (~0.8 kWh m−3) for seawater desalination. Thus, the high energy consumption of membrane processes has led to the development of alternative processes, such as the electrochemical, that use relatively less energy. Decades of research have revealed that the low energy consumption of the electrochemical process is closely coupled with a relatively low extent of desalination. Recent studies indicate that electrochemical process must overcome efficiency rather than energy consumption hurdles. This short perspective aims to provide platforms to compare the energy efficiency of the representative membrane and electrochemical processes based on the working principle of each process. Future water desalination methods and the potential role of nanotechnology as an efficient tool to overcome current limitations are also discussed.

scholarly journals Novel Dopamine-Modified Cellulose Acetate Ultrafiltration Membranes with Improved Separation and Antifouling Performances

2021 ◽  
Author(s):  
Xi Ma ◽  
Hanxiang Guo ◽  
Zhaofeng Wang ◽  
Nan Sun ◽  
Pengfei Huo ◽  
...  
Keyword(s):  
Cellulose Acetate ◽  
Pure Water ◽  
Water Flux ◽  
Rejection Rate ◽  
High Water ◽  
Inversion Method ◽  
Cellulose Derivatives ◽  
Long Term Performance ◽  
Phase Inversion Method ◽  
Term Performance

Abstract Cellulose derivatives are the earliest and most widely used membrane materials due to its many excellent characteristics, especially chemical activity and biodegradability. However, the hydrophobic properties of cellulose acetate (CA) limited its development to some extent. To improve the inherent hydrophobic and antifouling properties of the CA membrane, CA was successfully modified with dopamine (CA-2,3-DA) through selective oxidation and Schiff base reactions in this work, which was confirmed by 1H NMR and FTIR measurements. And then, the CA-2,3-DA membrane with high water permeability and the excellent antifouling property was prepared by the phase inversion method. Compared with the primordial CA membrane, the CA-2,3-DA membrane maintained a higher rejection rate for BSA (92.5%) while greatly increasing the pure water flux (167.3 L/m2h), which could be overcome the trade-off relationship between selectivity and permeability of the traditional CA membrane to a certain extent. According to the three-cycles dynamic ultrafiltration and static protein adsorption experiments, the CA-2,3-DA membrane showed good long-term performance stability and superior antifouling performance, which was supported by the experiment results including filtration resistance, flux decline ratio and flux recovery ratio. It is expected that this approach can greatly expand the high-value utilization of modified natural organic polysaccharides in separation engineering.

scholarly journals Structural investigation and application of Tween 80-choline chloride self-assemblies as osmotic agent for water desalination

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Yasamin Bide ◽  
Marzieh Arab Fashapoyeh ◽  
Soheila Shokrollahzadeh
Keyword(s):  
Nonionic Surfactant ◽  
Choline Chloride ◽  
Water Flux ◽  
Forward Osmosis ◽  
Tween 80 ◽  
Average Diameter ◽  
Feed Solution ◽  
Water Desalination ◽  
Draw Solution ◽  
Osmotic Agent

AbstractForward osmosis (FO) process has been extensively considered as a potential technology that could minimize the problems of traditional water desalination processes. Finding an appropriate osmotic agent is an important concern in the FO process. For the first time, a nonionic surfactant-based draw solution was introduced using self-assemblies of Tween 80 and choline chloride. The addition of choline chloride to Tween 80 led to micelles formation with an average diameter of 11.03 nm. The 1H NMR spectra exhibited that all groups of Tween 80 were interacted with choline chloride by hydrogen bond and Van der Waals’ force. The influence of adding choline chloride to Tween 80 and the micellization on its osmotic activity was investigated. Despite the less activity of single components, the average water flux of 14.29 L m‒2 h‒1 was obtained using 0.15 M of Tween 80-choline chloride self-assembly as draw solution in the FO process with DI water feed solution. Moreover, various concentrations of NaCl aqueous solutions were examined as feed solution. This report proposed a possible preparation of nonionic surfactant-based draw solutions using choline chloride additive with enhanced osmotic activities that can establish an innovative field of study in water desalination by the FO process.

Enhancing Water Permeability with Super-hydrophilic Metal-Organic Frameworks and Hydrophobic Straight Pores

2021 ◽  
Author(s):  
Mehdi Habibollahzadeh ◽  
Juran Noh ◽  
Liang Feng ◽  
Hong-Cai Zhou ◽  
Ahmed Abdel-Wahab ◽  
...  
Keyword(s):  
Osmotic Pressure ◽  
Water Permeability ◽  
Metal Organic Frameworks ◽  
Water Flux ◽  
Forward Osmosis ◽  
High Water ◽  
Metal Organic

High water flux and salt selectivity have been the most demanding goals for osmosis-based membranes. Osmotic pressure differences across membranes are particularly important in emerging forward osmosis and pressure retarded...

scholarly journals Single-File Water Flux Through Two-Dimensional Nanoporous Membranes

2020 ◽  
Vol 15 (1) ◽  
Author(s):  
Myung Eun Suk
Keyword(s):  
Water Flux ◽  
Interaction Strength ◽  
High Water ◽  
Potential Of Mean Force ◽  
Proximal Region ◽  
Dominant Factor ◽  
Chemical Characteristics ◽  
Nanoporous Membranes ◽  
Two Dimensional ◽  
Single File

Abstract Recent advances in the development of two-dimensional (2D) materials have facilitated a wide variety of surface chemical characteristics obtained by composing atomic species, pore functionalization, etc. The present study focused on how chemical characteristics such as hydrophilicity affects the water transport rate in hexagonal 2D membranes. The membrane–water interaction strength was tuned to change the hydrophilicity, and the sub-nanometer pore was used to investigate single-file flux, which is known to retain excellent salt rejection. Due to the dewetting behavior of the hydrophobic pore, the water flux was zero or nominal below the threshold interaction strength. Above the threshold interaction strength, water flux decreased with an increase in interaction strength. From the potential of mean force analysis and diffusion coefficient calculations, the proximal region of the pore entrance was found to be the dominant factor degrading water flux at the highly hydrophilic pore. Furthermore, the superiority of 2D membranes over 3D membranes appeared to depend on the interaction strength. The present findings will have implications in the design of 2D membranes to retain a high water filtration rate.

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