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Graphyne-4 sheet exhibits promising potential for nanoscale desalination to achieve both high water permeability and salt rejection rate. Extensive molecular dynamics simulations on pore-size effects suggest that graphyne-4, with 4…

Materials Science · Physics 2015-02-06 Chongqin Zhu , Hui Li , Xiao Cheng Zeng , Sheng Meng

The freshwater crisis is a growing concern and a pressing problem for the world because of the increasing population, civilization, and rapid industrial growth. The water treatment facilities are able to supply less than 1% of the total…

Soft Condensed Matter · Physics 2023-11-28 Nudrat Nawal , Md Rashed Nizam , Priom Das , A K M Monjur Morshed

The low efficiency of commercially-used reverse osmosis (RO) membranes has been the main obstacle in seawater desalination application. Here, we report the auspicious performance, through molecular dynamics simulations, of a seawater…

Biological Physics · Physics 2021-03-12 Weifeng Li , Yanmei Yang , Hongcai Zhou , Xiaoming Zhang , Mingwen Zhao

Because they may provide ultrathin, high-flux, and energy-efficient membranes for precise ionic and molecular sieving in aqueous solution, GO membranes (partially oxidized, stacked sheets of graphene) have shown great potential in water…

Nanoporous carbon composite membranes, comprising a layer of porous carbon fiber structures with an average channel width of 30-60 nm grown on a porous ceramic substrate, are found to exhibit robust desalination effect with high freshwater…

Materials Science · Physics 2016-04-27 Wei Chen , Shuyu Chen , Qiang Zhang , Zhongli Fan , Kuo-Wei Huang , Xixiang Zhang , Zhiping Lai , Ping Sheng

Reverse electrodialysis is a promising method to harvest the osmotic energy stored between seawater and freshwater, but it has been a long-standing challenge to fabricate permselective membranes with the power density surpassing the…

Applied Physics · Physics 2019-12-09 Zhenkun Zhang , Wenhao Shen , Lingxin Lin , Mao Wang , Ning Li , Zhifeng Zheng , Feng Liu , Liuxuan Cao

Ultrahigh water permeance, together with a high rejection rate through nanofiltration and separation membranes1,2, is crucial but still challenging for multivalent ion sieving in water treatment processes of desalination, separation, and…

Nanopore desalination technology hinges on high water-permeable membranes which, at the same time, block ions efficiently. In this study, we consider a recently synthesized [Science 363, 151-155 (2019)] phenine nanotube (PNT) for water…

Applied Physics · Physics 2022-04-21 Supriyo Naskar , Anil Kumar Sahoo , Mohd Moid , Prabal K. Maiti

A novel concept of membrane process in thermal-driven system is proposed for water desalination. By means of molecular dynamics simulations, we show fast water transport through graphene galleries at a temperature gradient. Water molecules…

Soft Condensed Matter · Physics 2018-10-29 Bo Chen , Haifeng Jiang , Huidong Liu , Kang Liu , Xiang Liu , Xuejiao Hu

We design an all-carbon membrane for the filtration and desalination of water. A unique layered assembly of carbon nanostructures including graphite oxide (GO), buckypaper consisting of carbon nanotubes, and a strong carbon fabric provides…

Materials Science · Physics 2019-09-04 David Tománek , Andrii Kyrylchuk

Graphynes are novel two-dimensional carbon-based materials that -due to their nanoweb-like structure- have been proposed as molecular filters, especially for water purification technologies. In this work we carry out first principles…

Using molecular dynamic simulations we show that single-layers of molybdenum disulfide (MoS$_2$) and graphene can effectively reject ions and allow high water permeability. Solutions of water and three cations with different valence…

Soft Condensed Matter · Physics 2018-03-14 Mateus Henrique Köhler , José Rafael Bordin , Marcia C. Barbosa

Graphene oxide (GO) membranes continue to attract intense interest due to their unique molecular sieving properties combined with fast permeation rates. However, the membranes' use has been limited mostly to aqueous solutions because GO…

Permeation through nanometer pores is important in the design of materials for filtration and separation techniques and because of unusual fundamental behavior arising at the molecular scale. We found that submicron-thick membranes made…

Materials Science · Physics 2012-01-30 R. R. Nair , H. A. Wu , P. N. Jayaram , I. V. Grigorieva , A. K. Geim

Graphene-based membranes have been investigated as promising candidates for water filtration and gas separation applications. Experimental evidences have shown that graphene oxide can be impermeable to liquids, vapors and gases, while…

Materials Science · Physics 2017-02-02 Daiane D. Borges , Cristiano F. Woellner , Pedro A. S. Autreto , Douglas S. Galvao

Passive solar desalination is an emerging low-cost technology for fresh water production. State of the art desalinators typically evaporate water using wicking structures to achieve high solar-to-vapor efficiency by minimizing heat loss.…

We report a molecular dynamics (MD) simulation study of reverse osmosis desalination using nanoporous monolayer graphene passivated by SiH$_2$ and Si(OH)$_2$ functional groups. A highly accurate and detailed polarizable molecular mechanics…

Chemical Physics · Physics 2018-04-10 Yudong Qiu , Benedict R. Schwegler , Lee-Ping Wang

There has been intense interest in filtration and separation properties of graphene-based materials that can have well-defined nanometer pores and exhibit low frictional water flow inside them. Here we investigate molecular permeation…

Materials Science · Physics 2014-02-18 R. K. Joshi , P. Carbone , F. C. Wang , V. G. Kravets , Y. Su , I. V. Grigorieva , H. A. Wu , A. K. Geim , R. R. Nair

Access to intrinsic properties of a 2D material is challenging due to the absence of a bulk that would dominate over surface contamination, and this lack of bulk also precludes effective conventional cleaning methods that are almost always…

Materials Science · Physics 2024-10-28 Hao Wang , Milinda Randeniya , Austin Houston , Gerd Duscher , Gong Gu

Graphene oxide membranes show exceptional molecular permeation properties, with a promise for many applications. However, their use in ion sieving and desalination technologies is limited by a permeation cutoff of ~9 Angstrom, which is…

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