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    Recent progress in molecular simulation of nanoporous graphene membranes for gas separation

    , Article Journal of the Korean Physical Society ; Volume 71, Issue 1 , 2017 , Pages 54-62 ; 03744884 (ISSN) Fatemi, S. M ; Baniasadi, A ; Moradi, M ; Sharif University of Technology
    Abstract
    If an ideal membrane for gas separation is to be obtained, the following three characteristics should be considered: the membrane should be as thin as possible, be mechanically robust, and have welldefined pore sizes. These features will maximize its solvent flux, preserve it from fracture, and guarantee its selectivity. Graphene is made up of a hexagonal honeycomb lattice of carbon atoms with sp2 hybridization state forming a one-atom-thick sheet of graphite. Following conversion of the honeycomb lattices into nanopores with a specific geometry and size, a nanoporous graphene membrane that offers high efficiency as a separation membrane because of the ultrafast molecular permeation rate as... 

    Numerical Simulation of Water Filtration from Pollutant Ions Using Nanoporous Graphene Membrane

    , M.Sc. Thesis Sharif University of Technology Rahiminejad, Mohammad (Author) ; Moosavi, Ali (Supervisor) ; Nouri Borujerdi, Ali (Supervisor)
    Abstract
    Water treatment from industrial and domestic pollutants is one of the most important issues in recent decades. In the present research, simulation of water purification using single-layer graphene membrane were studied. The effects of nanopores diameter, applied pressure, concentration of contaminant ions, and functional groups on the amount of filtered water and ion rejection through the membrane were quantified. Contaminant ions including Na+, K+, Mg2+, Ca2+, and Cl- were dissolved in water. Based on the results, by increasing the pore diameter and applied pressure, more water would pass through the membrane. Also it was concluded that pores with functional groups have better performance... 

    Preparation of Nano Fluid from Carbon Nano Structures with High Surface Area in Order to Improve the Heat Transfer Coefficient in Heat Exchangers

    , M.Sc. Thesis Sharif University of Technology Naghash Chimeh, Amir Saleh (Author) ; Sattari, Sorena (Supervisor) ; Rashidi, Alimorad (Co-Advisor)
    Abstract
    In this research convective heat transfer coefficient enhancement of nanofluids prepared from high surface area graphene has been investigated in laminar flow in the developing region. The nanofluid has been prepared from nanoporous graphene with high surface area and with concentration of 0.025 to 0.1 %wt. Deionized water has been used as the base fluid and a type of Ter-Polymer has been utilized as the surfactant. The results indicate that thermal conductivity of nanofluid with concentration of 0.1 %wt remains quite constant, with only %3.8 enhancement, while convective heat transfer coefficient improves significantly, with 34% enhancement. The behavior of this enhancement related to the... 

    Investigation of the Influence of Charge and External Field on Desalination by Carbon Nanostructures Using Molecular Dynamics Simulation

    , Ph.D. Dissertation Sharif University of Technology Mortazavi, Vahid Reza (Author) ; Moosavi, Ali (Supervisor) ; Nouri-Borujerdi, Ali (Co-Supervisor)
    Abstract
    Membrane filtration systems are one of the most widely used and effective methods for desalination of saline water in the seas and oceans and treatment of industrial and domestic effluents in order to provide the fresh water resources needed for human survival on the earth and also meet the needs of various industries. The low efficacy of the traditional technologies necessitates the introduction of novel desalination methods. For this purpose, carbon-based membranes have been proposed as high-performance membranes because of their high mechanical strength, ultrafast permeation, and controllable pore size. In this study, by conducting molecular dynamics simulations, the effects of electric... 

    Experimental assessment of convective heat transfer coefficient enhancement of nanofluids prepared from high surface area nanoporous graphene

    , Article International Communications in Heat and Mass Transfer ; Volume 78 , 2016 , Pages 127-134 ; 07351933 (ISSN) Naghash, A. S ; Sattari, S ; Rashidi, A. M ; Sharif University of Technology
    Elsevier Ltd 
    Abstract
    In this research convective heat transfer coefficient enhancement of nanofluids prepared from high surface area graphene has been investigated in laminar flow in the developing region. The nanofluid has been prepared from nanoporous graphene with high surface area and with concentration of 0.025 to 0.1 wt.%. Deionized water has been used as the base fluid and a type of Ter-Polymer has been utilized as the surfactant. The results indicate that thermal conductivity of nanofluid with concentration of 0.1 wt.% remains quite constant, with only 3.8% enhancement, while convective heat transfer coefficient improves significantly, with 34% enhancement. The behavior of this enhancement related to the... 

    Water desalination by charged multilayer graphene membrane: A molecular dynamics simulation

    , Article Journal of Molecular Liquids ; Volume 355 , 2022 ; 01677322 (ISSN) Mortazavi, V ; Moosavi, A ; Nouri Borujerdi, A ; Sharif University of Technology
    Elsevier B.V  2022
    Abstract
    Graphene, due to its unique excellent properties, is proposed as a developing method with high efficiency compared to classical water desalination methods. In this regard, charging the membrane is considered a promising and effective approach to enhance the performance of the graphene membrane. In this research, by using molecular dynamics simulations, the water desalination by charged multilayer graphene is evaluated and the influence of electric charge amount and geometric parameters, including the pore diameter and the interlayer distance, are investigated. According to the results, the multilayer nanoporous graphene with 16.35 Å pore diameter, in which the electric charge is distributed... 

    Numerical simulation of salt water passing mechanism through nanoporous single-layer graphene membrane

    , Article Chemical Product and Process Modeling ; Volume 11, Issue 1 , 2016 , Pages 73-76 ; 21946159 (ISSN) Chogani, A ; Moosavi, A ; Rahiminejad, M ; Sharif University of Technology
    Walter de Gruyter GmbH  2016
    Abstract
    In recent years carbon nanotubes and other carbon nanostructures such as graphene sheets have attracted a lot of attention due to their unique mechanical, thermal and electrical properties. These structures can be used in desalination of sea water, removal of hazardous substances from water tanks, gases separation, and so on. The nanoporous single layer graphene membranes are very efficient for desalinating water due to their very low thickness. In this method, water-flow thorough the membrane and salt rejection strongly depend on the applied pressure and size of nanopores that are created in graphene membrane. In this study, the mechanism of passing water and salt ions through nanoporous... 

    Enhancing water desalination in graphene-based membranes via an oscillating electric field

    , Article Desalination ; Volume 495 , December , 2020 Mortazavi, V ; Moosavi, A ; Nouri Borujerdi, A ; Sharif University of Technology
    Elsevier B.V  2020
    Abstract
    Water desalination methods on the basis of newly developed graphene-based membrane have been introduced as a more efficient alternative for the conventional water purification technologies such as classical thermal desalination and reverse osmosis (RO). However, the increase of water permeation rate and ion rejection are still the main subjects in this field. In this study, a new method based on using oscillating electric field is proposed to improve the performance of nanoporous graphene. The effects of the amplitude and oscillation frequency of the electric field and the pore size of the membrane on the water permeation and salt rejection are studied by conducting molecular dynamics... 

    Aperiodic perforated graphene in optical nanocavity absorbers

    , Article Materials Science and Engineering B: Solid-State Materials for Advanced Technology ; Volume 276 , 2022 ; 09215107 (ISSN) Bidmeshkipour, S ; Akhavan, O ; Salami, P ; Yousefi, L ; Sharif University of Technology
    Elsevier Ltd  2022
    Abstract
    Aperiodic perforated graphene layers were synthesized and used in fabrication of optical nanocavity absorbers. Chemical vapor deposition-grown graphene (Gr) layers were exposed to oxygen plasma etching to obtain the perforated graphene (pGr). The fabricated pGr/SiO2 (68 nm)/Ag (150 nm) nanocavity could present significant higher optical absorption, especially at around 530 nm wavelength region, as compared to a benchmark Gr/SiO2 (68 nm)/Ag (150 nm) sample. The effect of pore size of the pGr layer on the absorption property of the nanocavity has been studied by both experimental and numerical methods. The dependence of the absorption property of the nanocavity on the incident angles of...