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    Surfactant binary systems: Ab initio calculations, preferential solvation, and investigation of solvatochromic parameters

    , Article Journal of Chemical and Engineering Data ; Volume 61, Issue 1 , 2016 , Pages 255-263 ; 00219568 (ISSN) Kohantorabi, M ; Salari, H ; Fakhraee, M ; Gholami, M.R ; Sharif University of Technology
    American Chemical Society 
    Abstract
    Solvatochromic UV-vis shifts of three probes 4-nitroaniline, 4-nitroanisol, and Reichardt's dye in binary mixtures of polyethylene glycol p-(1,1,3,3-tetramethylbutyl)-phenyl ether (Triton X-100 or TX-100) with methanol, ethanol, 1-propanol, and water have been investigated at 298 K. Structural and intermolecular interactions of solvatochromic probes were determined in these systems. Solvatochromic parameters, including normalized polarity (ETN), dipolarity-polarizability (π∗), hydrogen-bond donor (α), and hydrogen-bond acceptor (β) abilities, were measured at a wide range of mole fraction (0 ≤ X ≤ 1) with 0.1 increment. Interestingly, a similar behavior of ETN and α is observed in... 

    Ultrahigh permeable C2N-inspired graphene nanomesh membranes versus highly strained c2n for reverse osmosis desalination

    , Article Journal of Physical Chemistry B ; Volume 123, Issue 41 , 2019 , Pages 8740-8752 ; 15206106 (ISSN) Fakhraee, M ; Akhavan, O ; Sharif University of Technology
    American Chemical Society  2019
    Abstract
    The reverse osmosis (RO) desalination capability of hydrogenated and hydroxylated graphene nanomesh membranes (GNMs) inspired by the morphology of carbon nitride (C2N) has been studied by using molecular dynamics simulation. As an advantage, water permeance of the GNMs is found to be several orders of magnitude higher than that of the available RO filters and comparable with highly strained C2N (S-C2N) as follows: 6,6-H,OH > 12-H > S-C2N > 5,5-H,OH > 10-H. The reverse order is found for salt rejection, regardless of S-C2N. The hydrophilic character of the incorporated -OH functional group is believed to be responsible for linking the water molecules in feed and permeate sides via the...