1 Ocak 2022 Dergi makalesi Açık Erişim

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

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{
  "DOI": "10.1021/acsami.2c03700", 
  "abstract": "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.", 
  "author": [
    {
      "family": "Guvensoy-Morkoyun", 
      "given": " Aysa"
    }, 
    {
      "family": "Velioglu", 
      "given": " Sadiye"
    }, 
    {
      "family": "Ahunbay", 
      "given": " M. Goktug"
    }, 
    {
      "family": "Tantekin-Ersolmaz", 
      "given": " S. Birgul"
    }
  ], 
  "container_title": "ACS APPLIED MATERIALS & INTERFACES", 
  "id": "259327", 
  "issue": "24", 
  "issued": {
    "date-parts": [
      [
        2022, 
        1, 
        1
      ]
    ]
  }, 
  "page": "28174-28185", 
  "title": "Desalination Potential of Aquaporin-Inspired Functionalization of Carbon Nanotubes: Bridging Between Simulation and Experiment", 
  "type": "article-journal", 
  "volume": "14"
}