Salt separation from water using graphene oxide nanochannels: A molecular dynamics simulation study
Tóm tắt
Từ khóa
Tài liệu tham khảo
Wei, 2018, Multilayered graphene oxide membrane for water treatment: a review, Carbon, 139, 964, 10.1016/j.carbon.2018.07.040
Alamaro, 2014, Water politics must adapt to a warming world: as rainfall patterns shift, technological and legislative changes are needed to address water shortages, Nature, 514, 7, 10.1038/514007a
Ghaffour, 2013, Technical review and evaluation of the economics of water desalination: current and future challenges for better water supply sustainability, Desalination, 309, 197, 10.1016/j.desal.2012.10.015
Pe nate, 2012, Current trends and future prospects in the design of seawater reverse osmosis desalination technology, Desalination, 284, 1, 10.1016/j.desal.2011.09.010
Greenlee, 2009, Reverse osmosis desalination: water sources, technology, and today's challenges, Water Res., 43, 2317, 10.1016/j.watres.2009.03.010
Shannon, 2008, Science and technology for water purification in the coming decades, Nature, 452, 301, 10.1038/nature06599
Fang, 2017, Impact of surface ionization on water transport and salt leakage through graphene oxide membranes, J. Phys. Chem. C, 13412, 10.1021/acs.jpcc.7b04283
Chen, 2017, Observation and analysis of water transport through graphene oxide interlamination, J. Phys. Chem. C, 121, 1321, 10.1021/acs.jpcc.6b09753
Jeong, 2007, Interfacial polymerization of thin film nanocomposites: a new concept for reverse osmosis membranes, J. Membr. Sci., 294, 1, 10.1016/j.memsci.2007.02.025
Liu, 2011, Energy analysis and efficiency assessment of reverse osmosis desalination process, Desalination, 276, 352, 10.1016/j.desal.2011.03.074
Aghigh, 2015, Recent advances in utilization of graphene for filtration and desalination of water: a review, Desalination, 365, 389, 10.1016/j.desal.2015.03.024
Devanathan, 2016, Molecular dynamics simulations reveal that water diffusion between graphene oxide layers is slow, Sci. Rep., 6, 29484, 10.1038/srep29484
Wang, 2017, Molecular dynamics study on water desalination through functionalized nanoporous graphene, Carbon, 116, 120, 10.1016/j.carbon.2017.01.099
Kim, 2016, Controlled degrees of oxidation of nanoporous graphene filters for water purification using an aqueous arc discharge, Carbon, 109, 624, 10.1016/j.carbon.2016.08.060
Farahbaksh, 2017, Investigation of raw and oxidized multiwalled carbon nanotubes in fabrication of reverse osmosis polyamide membranes for improvement in desalination and antifouling properties, Desalination, 410, 1, 10.1016/j.desal.2017.01.031
Lee, 2014, Experimental evidence of rapid water transport through carbon nanotubes embedded in polymeric desalination membranes, Small, 10, 2653, 10.1002/smll.201303945
Yuan, 2008, Superwetting nanowire membranes for selective absorption, Nat. Nanotechnol., 3, 332, 10.1038/nnano.2008.136
Tian, 2017, Synthesis and characterization of thin film nanocomposite forward osmosis membranes supported by silica nanoparticle incorporated nanofibrous substrate, Desalination, 401, 142, 10.1016/j.desal.2016.04.003
Emadzadeh, 2015, Synthesis, modification and optimization of titanate nanotubes-polyamide thin film nanocomposite (TFN) membrane for forward osmosis (FO) application, Chem. Eng. J., 281, 243, 10.1016/j.cej.2015.06.035
Lin, 2015, Two-dimensional covalent triazine framework as an ultrathin-film nanoporous membrane for desalination, Chem. Commun., 51, 14921, 10.1039/C5CC05969K
Katekomol, 2013, Covalent triazine frameworks prepared from 1, 3, 5-tricyanobenzene, Chem. Mater., 25, 1542, 10.1021/cm303751n
Hu, 2011, Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: insight from molecular simulation, J. Chem. Phys., 134, 134705, 10.1063/1.3573902
Fornasiero, 2008, Ion exclusion by sub-2-nm carbon nanotube pores, Proc. Natl. Acad. Sci., 105, 17250, 10.1073/pnas.0710437105
Fornasiero, 2010, pH-Tunable ion selectivity in carbon nanotube pores, Langmuir, 26, 14848, 10.1021/la101943h
Pendergast, 2011, A review of water treatment membrane nanotechnologies, Energy Environ. Sci., 4, 1946, 10.1039/c0ee00541j
Cohen-Tanugi, 2012, Water desalination across nanoporous graphene, Nano Lett., 12, 3602, 10.1021/nl3012853
Surwade, 2015, Water desalination using nanoporous single-layer graphene, Nat. Nanotechnol., 10, 459, 10.1038/nnano.2015.37
He, 2013, Bioinspired graphene nanopores with voltage-tunable ion selectivity for Na+ and K+, ACS Nano, 7, 10148, 10.1021/nn4043628
Chen, 2015, Pyridinic nitrogen doped nanoporous graphene as desalination membrane: molecular simulation study, J. Membr. Sci., 496, 108, 10.1016/j.memsci.2015.08.052
Li, 2017, Molecular simulation of reverse osmosis for heavy metal ions using functionalized nanoporous graphenes, Comput. Mater. Sci., 139, 65, 10.1016/j.commatsci.2017.07.032
Sun, 2012, Selective ion penetration of graphene oxide membranes, ACS Nano, 7, 428, 10.1021/nn304471w
Huang, 2015, Graphene-based membranes for molecular separation, J. Phys. Chem. Lett., 6, 2806, 10.1021/acs.jpclett.5b00914
Williams, 2016, Selective removal of technetium from water using graphene oxide membranes, Environ. Sci. Technol., 50, 3875, 10.1021/acs.est.5b06032
Tian, 2017, Ion-gated gas separation through porous graphene, Nano Lett., 17, 1802, 10.1021/acs.nanolett.6b05121
Dikin, 2007, Preparation and characterization of graphene oxide paper, Nature, 448, 457, 10.1038/nature06016
Hung, 2014, Pressure-assisted self-assembly technique for fabricating composite membranes consisting of highly ordered selective laminate layers of amphiphilic graphene oxide, Carbon, 68, 670, 10.1016/j.carbon.2013.11.048
Wang, 2016, Graphene oxide as an effective barrier on a porous nanofibrous membrane for water treatment, ACS Appl. Mater. Interfaces, 8, 6211, 10.1021/acsami.5b12723
Guan, 2017, Spray-evaporation assembled graphene oxide membranes for selective hydrogen transport, Sep. Purif. Technol., 174, 126, 10.1016/j.seppur.2016.10.012
Joshi, 2014, Precise and ultrafast molecular sieving through graphene oxide membranes, Science, 343, 752, 10.1126/science.1245711
Nair, 2012, Unimpeded permeation of water through helium-leak-tight graphene-based membranes, Science, 335, 442, 10.1126/science.1211694
Talyzin, 2014, The structure of graphene oxide membranes in liquid water, ethanol and water-ethanol mixtures, Nanoscale, 6, 272, 10.1039/C3NR04631A
Wei, 2014, Understanding water permeation in graphene oxide membranes, ACS Appl. Mater. Interfaces, 6, 5877, 10.1021/am500777b
Medhekar, 2010, Hydrogen bond networks in graphene oxide composite paper: structure and mechanical properties, ACS Nano, 4, 2300, 10.1021/nn901934u
Dai, 2016, Water permeation and ion rejection in layer-by-layer stacked graphene oxide nanochannels: a molecular dynamics simulation, J. Phys. Chem. C, 120, 22585, 10.1021/acs.jpcc.6b05337
Scott, 1995
Gao, 2009, New insights into the structure and reduction of graphite oxide, Nat. Chem., 1, 403, 10.1038/nchem.281
Kim, 2012, Room-temperature metastability of multilayer graphene oxide films, Nat. Mater., 11, 544, 10.1038/nmat3316
Plimpton, 1995, Fast parallel algorithms for short-range molecular dynamics, J. Comput. Phys., 117, 1, 10.1006/jcph.1995.1039
Jorgensen, 1996, Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids, J. Am. Chem. Soc, 118, 11225, 10.1021/ja9621760
Murzyn, 2013, Refined OPLS all-atom force field parameters for n-pentadecane, methyl acetate, and dimethyl phosphate, J. Phys. Chem. B, 117, 16388, 10.1021/jp408162d
Jorgensen, 1983, Comparison of simple potential functions for simulating liquid water, J. Chem. Phys., 79, 926, 10.1063/1.445869
Giri, 2017, Cluster formation of NaCl in bulk solutions: arithmetic vs. geometric combination rules, J. Mol. Liq., 228, 63, 10.1016/j.molliq.2016.09.089
Giri, 2018, Influence of chain length and branching on the structure of functionalized gold nanoparticles, J. Phys. Chem. C, 122, 26739, 10.1021/acs.jpcc.8b08590
Allen, 2017
Hockney, 1988, Computer simulation using particles 1988, Adam Hilger, 120
Ryckaert, 1977, Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of N-alkanes, J. Comput. Phys., 23, 327, 10.1016/0021-9991(77)90098-5
Li, 2016, Molecular dynamics simulations of CO2/N2 separation through two-dimensional graphene oxide membranes, J. Phys. Chem. C, 120, 26061, 10.1021/acs.jpcc.6b06940
Wall, 2012, Separation of CO2/N2 by means of a carbon membrane, Chem. Eng. Technol., 35, 508, 10.1002/ceat.201100433
Liu, 2016, Molecular dynamics study of pressure-driven water transport through graphene bilayers, Phys. Chem. Chem. Phys., 18, 1886, 10.1039/C5CP04976H
He, 2012, Scanning tunneling microscopy study and nanomanipulation of graphene-coated water on Mica, Nano Lett., 12, 2665, 10.1021/nl202613t
Geng, 2017, Graphene oxide restricts growth and recrystallization of ice crystals, Angew. Chem. Int. Ed., 56, 997, 10.1002/anie.201609230
Giri, 2018, Structure and kinetics of water in highly confined conditions: a molecular dynamics simulation study, J. Mol. Liq., 268, 625, 10.1016/j.molliq.2018.07.083
Benková, 2011, Molecular dynamics study of water interacting with siloxane surface modified by poly(ethylene oxide) chains, J. Phys. Chem. C, 115, 18740, 10.1021/jp205973h
Gowers, 2015, A multiscale approach to model hydrogen bonding: the case of polyamide, The Journal of Chemical Physics, 142, 224907, 10.1063/1.4922445
Chandra, 2003, Dynamical behavior of anion- water and water-water hydrogen bonds in aqueous electrolyte solutions: a molecular dynamics study, The Journal of Physical Chemistry B, 107, 3899, 10.1021/jp022147d