1 Ocak 2022 Dergi makalesi Açık Erişim

Guvensoy-Morkoyun, Aysa; Velioglu, Sadiye; Ahunbay, M. Goktug; Tantekin-Ersolmaz, S. Birgul

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        "affiliation": "Istanbul Tech Univ, Dept Chem Engn, TR-34469 Istanbul, Turkey", 
        "name": "Guvensoy-Morkoyun, Aysa"
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      {
        "name": "Velioglu, Sadiye"
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      {
        "affiliation": "Istanbul Tech Univ, Dept Chem Engn, TR-34469 Istanbul, Turkey", 
        "name": "Ahunbay, M. Goktug"
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      {
        "affiliation": "Istanbul Tech Univ, Dept Chem Engn, TR-34469 Istanbul, Turkey", 
        "name": "Tantekin-Ersolmaz, S. Birgul"
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    "description": "Outstanding water/ion selectivity of aquaporins paves the way for bioinspired desalination membranes. Since the amino acid asparagine (Asn) plays a critical role in the fast water conduction of aquaporins through hydrogen bonding interactions, we adapted this feature by functionalizing carbon nanotubes (CNTs) with Asn. We also studied a nonpolar amino acid and carboxylate functional groups for comparison. Computation of the ideal performance of individual CNTs at atomistic scale is a powerful tool for probing the effect of tip-functionalized CNTs on water and ion transport mechanism. Molecular simulation study suggests that steric effects required for ion rejection compromise fast water conductivity; however, an Asn functional group having polarity and hydrogen bonding capability can be used to balance this trade-off to some extent. To test our hypothesis, we incorporated functionalized CNTs (f-CNTs) into the in situ polymerized selective polyamide (PA) layer of thin film nanocomposite membranes and compared their experimental RO desalination performance. The f-CNTs were found to change the separation environment through modification of cross-linking density, thickness, and hydrophilicity of the PA layer. Asn functionalization led to more cross-linked and thinner PA layer while hydrophilicity is improved compared to other functional groups. Accordingly, water permeance is increased by 25% relative to neat PA with a salt rejection above 98%. Starting from the nanomaterial itself and benefiting from molecular simulation, it is possible to design superior membranes suited for practical applications.", 
    "doi": "10.1021/acsami.2c03700", 
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    "journal": {
      "issue": "24", 
      "pages": "28174-28185", 
      "title": "ACS APPLIED MATERIALS & INTERFACES", 
      "volume": "14"
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    "publication_date": "2022-01-01", 
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    "title": "Desalination Potential of Aquaporin-Inspired Functionalization of Carbon Nanotubes: Bridging Between Simulation and Experiment"
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