Outlook for graphene-based desalination membranes

Boretti, Alberto; Al‐Zubaidy, Sarim; Václavíková, Miroslava; Al‐Abri, Mohammed; Castelletto, Stefania; Mikhalovsky, Sergey

doi:10.1038/s41545-018-0004-z

Cited by 172 publications

(110 citation statements)

References 72 publications

(137 reference statements)

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“…However, it was not reported experimentally or by simulations for MoS 2 membranes so far we know. These results indicate that extensive research has to be done, especially experimental studies, to see if there is ionic blockage or not for MoS 2 small nanopores once membrane fouling control is one of the most important performance parameters for next-generation membrane materials [8].…”

Section: Resultsmentioning

confidence: 99%

Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS₂ nanopores

Abal

Bordin

Barbosa

2020

Phys. Chem. Chem. Phys.

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Water scarcity is a reality in our world, and scenarios predicted by leading scientists in this area indicate that it will worsen in the next decades. However, new technologies based in low-cost seawater desalination can prevent the worst scenarios, providing fresh water for humanity. With this goal, membranes based in nanoporous materials have been suggested in recent years. One of the materials suggested is MoS 2 , and classical Molecular Dynamics (MD) simulation is one of the most powerful tools to explore these nanomaterials. However, distinct Force Fields employed in MD simulations are parameterized based on distinct experimental quantities. In this paper, we compare two models of salt that were build based on distinct properties of water-salt mixtures. One model fits the hydration free energy and lattice properties, the second fits the crystal density and the density and the dielectric constant of water and salt mixtures. To compare the models, MD simulations for salty water flow through two nanopores sizes were used -one pore big enough to accommodate hydrated ions, and one smaller in which the ion has to dehydrate to enter, and two rigid water models from the TIP4P family -the TIP4P/2005 and TIP4P/ε. Our results indicate that the water permeability and salt rejection by the membrane are more influenced by the salt model than by the water model, especially for the narrow pore. In fact, completely distinct mechanisms were observed, and they are related to the characteristics employed in the ion model parameterization. The results show that not only the water model can influence the outcomes, but the ion model plays a crucial role.

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Section: Resultsmentioning

confidence: 99%

Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS₂ nanopores

Abal

Bordin

Barbosa

2020

Phys. Chem. Chem. Phys.

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“…In all cases it was observed an improvement of the polymer mechanical properties. Graphene based nanocomposites were successfully implemented in electrochemical applications [368,369], supercapacitors [370,371], lithium ion batteries [372,373], solar cell [374,375], sensors [376,377], drug delivery and tissue engineering [378][379][380], water purification [381,382].…”

Section: Graphene Oxidementioning

confidence: 99%

The Role of Functionalization in the Applications of Carbon Materials: An Overview

Speranza

2019

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The carbon-based materials (CbMs) refer to a class of substances in which the carbon atoms can assume different hybridization states (sp 1 , sp 2 , sp 3 ) leading to different allotropic structures -. In these substances, the carbon atoms can form robust covalent bonds with other carbon atoms or with a vast class of metallic and non-metallic elements, giving rise to an enormous number of compounds from small molecules to long chains to solids. This is one of the reasons why the carbon chemistry is at the basis of the organic chemistry and the biochemistry from which life on earth was born. In this context, the surface chemistry assumes a substantial role dictating the physical and chemical properties of the carbon-based materials. Different functionalities are obtained by bonding carbon atoms with heteroatoms (mainly oxygen, nitrogen, sulfur) determining a certain reactivity of the compound which otherwise is rather weak. This holds for classic materials such as the diamond, the graphite, the carbon black and the porous carbon but functionalization is widely applied also to the carbon nanostructures which came at play mainly in the last two decades. As a matter of fact, nowadays, in addition to fabrication of nano and porous structures, the functionalization of CbMs is at the basis of a number of applications as catalysis, energy conversion, sensing, biomedicine, adsorption etc. This work is dedicated to the modification of the surface chemistry reviewing the different approaches also considering the different macro and nano allotropic forms of carbon.C 2019, 5, 84 3 of 45 narrow graphite-like interconnected layers. This leads to a closed pore rigid structure that is chemically inert, hard but brittle [48][49][50].Due to the highly resistant, conductive, and inert network, glassy carbons are utilized in a series of rather different applications. They are utilized as electrodes in solid state batteries and in industrial harsh chemical processes where also high temperatures are involved such as crystallization of CaF2, CdS and ZnS. Glassy carbon can be utilized to manufacture high temperature furnace elements. Due to the chemical inertness, glassy carbons are utilized also in fabrication of protheses. Porous carbon and carbon black are much softer. Generally, in industrial applications important is the extension of the surface which is exposed to the external environment. The porous carbon is characterized by a high specific surface area enhancing the interaction with the external medium. Although it possesses a lower conductivity with respect to glassy carbon, the high porosity and the presence of active sites makes it a good material to fabricate electrodes for applications in electrochemistry [51][52][53] and bioelectrodes for sensing and stimulation [54,55].The same holds for the carbon black mainly utilized as additive in rubbers and polymers to improve their mechanical properties, or as a pigment [56] although new potentialities have been recently envisaged [57].Common to all the forms of carbon which are bri...

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“…The removal of ions and particles can be carried out by filtration, using reverse osmosis process, by ion exchange resins or electrodeionization, for example. Membrane processes deserve special attention as they are widely used in water treatment [2]. Membrane technologies-due to their low cost, easy maintenance and high rejection rate-have gained popularity during the last few decades and are widely used in very specific applications [3,4].…”

Section: Introductionmentioning

confidence: 99%

Synthesis and characterization of semi-permeable graphene/graphene oxide membranes for water desalination

et al. 2020

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In this paper, we present novel semi-permeable graphene-based membranes. Composite filters were designed and fabricated on polysulfone porous scaffolding using combinations of polycrystalline large-area High Strength Metallurgical Graphene (HSMGÒ), graphene oxide, hydrazine and an in-situ interfacial polymerized polyamide. The naturally occurring defects in HSMGÒ (which were tenths of a nanometer) were the clue in fabricating a filtering membrane. The performance of graphene membranes was evaluated in forward osmosis test. The prepared composites were proved to be semi-permeable membranes with great ions blocking efficiency (over 95%) and water flux only one order of magnitude lower than the commercial reverse osmosis membranes. The experiments' results demonstrated that the solutions proposed in this work indicate that graphene-based membranes can be used in water treatment technology.

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Outlook for graphene-based desalination membranes

Cited by 172 publications

References 72 publications

Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS₂ nanopores

Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS₂ nanopores

The Role of Functionalization in the Applications of Carbon Materials: An Overview

Synthesis and characterization of semi-permeable graphene/graphene oxide membranes for water desalination

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Outlook for graphene-based desalination membranes

Cited by 172 publications

References 72 publications

Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS2 nanopores

Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS2 nanopores

The Role of Functionalization in the Applications of Carbon Materials: An Overview

Synthesis and characterization of semi-permeable graphene/graphene oxide membranes for water desalination

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Product

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Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS₂ nanopores

Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS₂ nanopores