Design of Multi-Layer Graphene Membrane with Descending Pore Size for 100% Water Desalination by Simulation Using ReaxFF.

Qusai Ibrahim, Rokhsareh Akbarzadeh, Salem S Gharbia, Patrick Gathura Ndungu

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Article in Membranes, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

–field-weighted citation impact

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3 · Its place in the literature

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1 citing paper in PubMed.

State-of-the-Art of Polymer/Fullerene CMembranes · 2022
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5 · Who and what money

Authors and funding

4 authors.

Qusai IbrahimDepartment of Mechanical Engineering Science, University of Johannesburg, Auckland Park Kingsway Campus, Johannesburg 2006, South Africa.ORCID 0000-0002-2252-5153

Rokhsareh AkbarzadehEnergy, Sensors and Multifunctional Nanomaterials Research Group, Department of Chemical Sciences, Faculty of Science, University of Johannesburg, Doornfontein 2028, South Africa.ORCID 0000-0002-9934-6225

Salem S GharbiaCentre for Environmental Research Innovation and Sustainability CERIS, Department of Environmental Science, Atlantic Technological University, F91 YW50 Sligo, Ireland.

Patrick Gathura NdunguEnergy, Sensors and Multifunctional Nanomaterials Research Group, Department of Chemical Sciences, Faculty of Science, University of Johannesburg, Doornfontein 2028, South Africa.ORCID 0000-0002-1454-8590

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The performance of a desalination membrane depends on a specific pore size suitable for both water permeability and salt rejection. To increase membrane permeability, the applied pressure should be increased, which creates the need to improve membrane stability. In this research article, a molecular dynamics (MD) simulation was performed using ReaxFF module from Amsterdam Modeling suite (AMS) software to simulate water desalination efficiency using a single and multi-layer graphene membrane. The graphene membrane with different pore sizes and a multi-layer graphene membrane with descending pore size in each layer were designed and studied under different pressures. The stability of the membrane was checked using Material Studio 2019 by studying the dynamics summary. The single-layer graphene membrane was evaluated under pressures ranging from 100 to 500 MPa, with the salt rejection ranging from 95% to 82% with a water permeability of 0.347 × 10

Indexed as

desalinationgraphenematerial studioMD simulationmembraneReaxFF

Identifiers

PMID36363593

DOI10.3390/membranes12111038

PMCPMC9696490

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.