Search Results - "Azamat, Jafar"
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MoS2 nanosheet as a promising nanostructure membrane for gas separation
Published in Journal of industrial and engineering chemistry (Seoul, Korea) (25-10-2018)“…[Display omitted] •CH4 purification from CH4/CO2/H2S mixture using MoS2 was investigated.•The effect of pore size and shape on the gas permeability was…”
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Molecular dynamics simulation of trihalomethanes separation from water by functionalized nanoporous graphene under induced pressure
Published in Chemical engineering science (04-05-2015)“…Molecular dynamics simulations of trihalomethanes (THMs) separation from water were performed using a functionalized nanoporous graphene under induced…”
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Investigating the helium purification performance of Si-RHO zeolite membrane at the atomistic scale
Published in Theoretical chemistry accounts (01-10-2023)“…Natural gas, consisting primarily of methane, is currently the most viable source of helium. Besides, as attractive and versatile materials, zeolites are…”
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Water desalination across functionalized silicon carbide nanosheet membranes: insights from molecular simulations
Published in Structural chemistry (01-02-2020)“…Desalination of seawater can be an effective way to access drinking water. In this study, the performance of functionalized silicon carbide nanosheet (SiCNS)…”
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Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies
Published in Chinese journal of chemical engineering (01-05-2020)“…This research discusses the separation of methane gas from three different gas mixtures, CH4/H2S, CH4/N2 and CH4/CO2, using a modified silicon carbide…”
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The permeation of potassium and chloride ions through nanotubes: a molecular simulation study
Published in Monatshefte für Chemie (01-06-2014)“…The permeation of K + and Cl − ions across (7,7) and (8,8) carbon and boron nitride nanotubes was studied by the molecular dynamics simulation method. The…”
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Separation of noble gases using CHA-type zeolite membrane: insights from molecular dynamics simulation
Published in Chemical papers (01-09-2020)“…Separation of krypton/xenon is an important issue in some industrial applications. This study evaluates the performance of chabazite (CHA) zeolite membrane for…”
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Molecular Dynamics Simulation Study of the HIV-1 Protease Inhibit ion Using Fullerene and New Fullerene Derivatives of Carbon Nanostructures
Published in Mini reviews in medicinal chemistry (01-01-2017)“…The water insolubility of fullerene C60 nanostructure greatly hampers its biological applications as an effective HIV-1 protease inhibitor, which suggests to…”
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Functionalized Graphene Nanosheet as a Membrane for Water Desalination Using Applied Electric Fields: Insights from Molecular Dynamics Simulations
Published in Journal of physical chemistry. C (20-10-2016)“…Desalination is a favorable method employed to supply clean water in recent years. Various contaminants entering water resources must be removed from water by…”
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Theoretical investigation of the removal of nitrate ions from contaminated aqueous solution using functionalized silicon carbide nanosheets
Published in Computational materials science (01-02-2021)“…[Display omitted] •SiCNS membarnes are more effective for nitrate removal.•The removal of nitrate was dependent on the pore size and applied pressures.•The…”
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Effect of various aryl substitutions on the interfacial interaction energy of graphene/conductive polymer nanocomposites
Published in Chemical physics (15-01-2024)“…Studying intermolecular interactions in polymer nanocomposites is highly effective in achieving high-efficiency nanocomposites. To investigate the polymer…”
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Simulation of adsorption behavior for various functionalized graphene nanosheets containing alkyl chain/polymer nanocomposites using ReaxFF
Published in Diamond and related materials (01-03-2024)“…The non-covalent interactions in polymer/functionalized graphene nanosheet (FGN) nanocomposites containing the alkyl chain were investigated in this study. For…”
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Improving the performance of heavy metal separation from water using MoS2 membrane: Molecular dynamics simulation
Published in Computational materials science (01-09-2017)“…[Display omitted] •Heavy metal removal using MoS2 was investigated by MD simulation.•Water permeation through MoS2 pores was investigated.•PMF of ion and water…”
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Selective separation of methanol-water mixture using functionalized boron nitride nanosheet membrane: a computer simulation study
Published in Structural chemistry (15-08-2019)“…The separation of alcohol-water mixture from each other is one of the significant subjects for scientists in the pharmacy and engineering fields owing to…”
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Improving the performance of water desalination through ultra-permeable functionalized nanoporous graphene oxide membrane
Published in Applied surface science (01-01-2018)“…[Display omitted] •The capability of functionalized NPGO for desalination was investigated.•The effect of functional groups on the NPGO for desalination was…”
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Separation of CH4/C2H6 Mixture Using Functionalized Nanoporous Silicon Carbide Nanosheet
Published in Energy & fuels (19-07-2018)“…A gas separation process by 2D structure membranes has recently been considered. Some nanostructure membranes such as graphene have already been used…”
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CO2/CH4 mixed-gas separation through carbon nitride membrane: A molecular dynamics simulation
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (05-10-2022)“…We performed molecular dynamics simulations to study the performance of a pristine carbon nitride (C2N) membrane for separation of CO2/CH4 gas mixture. The…”
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Water desalination through fluorine-functionalized nanoporous graphene oxide membranes
Published in Materials chemistry and physics (01-02-2019)“…This study evaluates the application of fluorinated graphene-based water desalination membranes using molecular dynamics simulations. The studied membranes are…”
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Molecular Dynamics Simulation of Separation of Water-Acetone Mixture Using Carbon Nanotubes and Investigating the Effect of Nanotubes Size and Applied Pressure on the Separation Process
Published in Āb va fāz̤ilāb : majallah-i ʻilmī, pizhūhishī (01-09-2020)“…In many industrial processes, the acetone solvent is mixed with water in various proportions, and it is not possible to separate these mixtures without…”
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