Search Results - "Azamat, Jafar"

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  1. 1

    MoS2 nanosheet as a promising nanostructure membrane for gas separation by Azamat, Jafar, Khataee, Alireza

    “…[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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    Journal Article
  2. 2

    Molecular dynamics simulation of trihalomethanes separation from water by functionalized nanoporous graphene under induced pressure by Azamat, Jafar, Khataee, Alireza, Joo, Sang Woo

    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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  3. 3

    Investigating the helium purification performance of Si-RHO zeolite membrane at the atomistic scale by Ghasemi, Fatemeh, Pakdel, Siamak, Azamat, Jafar, Erfan-Niya, Hamid

    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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  4. 4

    Water desalination across functionalized silicon carbide nanosheet membranes: insights from molecular simulations by Jafarzadeh, Roghayeh, Azamat, Jafar, Erfan-Niya, Hamid

    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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  5. 5

    Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies by Bayat, Golchehreh, Saghatchi, Roozbeh, Azamat, Jafar, Khataee, Alireza

    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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  6. 6

    The permeation of potassium and chloride ions through nanotubes: a molecular simulation study by Azamat, Jafar, Sardroodi, Jaber Jahanbin

    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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  7. 7

    Separation of noble gases using CHA-type zeolite membrane: insights from molecular dynamics simulation by Hasanzadeh, Amir, Azamat, Jafar, Pakdel, Siamak, Erfan-Niya, Hamid, Khataee, Alireza

    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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  8. 8

    Molecular Dynamics Simulation Study of the HIV-1 Protease Inhibit ion Using Fullerene and New Fullerene Derivatives of Carbon Nanostructures by Barzegar, Abolfazl, Naghizadeh, Esmail, Zakariazadeh, Mostafa, Azamat, Jafar

    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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    Journal Article
  9. 9

    Functionalized Graphene Nanosheet as a Membrane for Water Desalination Using Applied Electric Fields: Insights from Molecular Dynamics Simulations by Azamat, Jafar

    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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  10. 10

    Theoretical investigation of the removal of nitrate ions from contaminated aqueous solution using functionalized silicon carbide nanosheets by Azamat, Jafar

    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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    Journal Article
  11. 11

    Effect of various aryl substitutions on the interfacial interaction energy of graphene/conductive polymer nanocomposites by Pishehvarz, Giti, Azamat, Jafar

    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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  12. 12

    Simulation of adsorption behavior for various functionalized graphene nanosheets containing alkyl chain/polymer nanocomposites using ReaxFF by Pishehvarz, Giti, Azamat, Jafar

    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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  13. 13
  14. 14

    Improving the performance of heavy metal separation from water using MoS2 membrane: Molecular dynamics simulation by Azamat, Jafar, Khataee, Alireza

    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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  15. 15

    Selective separation of methanol-water mixture using functionalized boron nitride nanosheet membrane: a computer simulation study by Azamat, Jafar

    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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  16. 16

    Improving the performance of water desalination through ultra-permeable functionalized nanoporous graphene oxide membrane by Hosseini, Mostafa, Azamat, Jafar, Erfan-Niya, Hamid

    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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  17. 17

    Separation of CH4/C2H6 Mixture Using Functionalized Nanoporous Silicon Carbide Nanosheet by Azamat, Jafar, Khataee, Alireza

    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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  18. 18

    CO2/CH4 mixed-gas separation through carbon nitride membrane: A molecular dynamics simulation by Pakdel, Siamak, Erfan-Niya, Hamid, Azamat, Jafar

    “…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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  19. 19

    Water desalination through fluorine-functionalized nanoporous graphene oxide membranes by Hosseini, Mostafa, Azamat, Jafar, Erfan-Niya, Hamid

    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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  20. 20

    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 by Jafar Azamat

    “…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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