Improving the performance of water desalination through ultra-permeable functionalized nanoporous graphene oxide membrane
Source abstract
Abstract
Abstract Molecular dynamics simulations were performed to investigate the water desalination performance of nanoporous graphene oxide (NPGO) membranes. The simulated systems consist of a NPGO as a membrane with a functionalized pore in its center immersed in an aqueous ionic solution and a graphene sheet as a barrier. The considered NPGO membranes are involved four types of pore with different size and chemistry. The results indicated that the NPGO membrane has effective efficiency in salt rejection as well as high performance in water flux. For all types of pore with the radius size of 2.9–4.5 A, the NPGO shows salt rejection of >89%. Functional groups on the surface and edge of pores have a great effect on water flux. To precisely understand the effect of functional groups on the surface of nanostructured membranes, nanoporous graphene was simulated under the same condition for comparison. Hydrophilic groups on the surface make the NPGO as an ultra-permeable membrane. As a result, the obtained water flux for NPGO was about 77% greater than graphene. Also, it was found that the water flux of NPGO is 2–5 orders of magnitude greater than other existing reverse osmosis membranes. Therefore, the investigated systems can be recommended as a model for the water desalination.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Membrane Separation Technologies · Graphene research and applications · Graphene and Nanomaterials Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (78)
Show source-provided references
1. Science and technology for water purification in the coming decades10.1038/nature06599 ↗
2. A review of reverse osmosis membrane materials for desalination-Development to date and future potential10.1016/j.memsci.2010.12.036 ↗
3. The future of seawater desalination: energy, technology, and the environment10.1126/science.1200488 ↗
4. Materials for next-generation desalination and water purification membranes10.1038/natrevmats.2016.18 ↗
5. Advances in seawater desalination technologies10.1016/j.desal.2007.01.067 ↗
6. Nanostructured materials for water desalination10.1088/0957-4484/22/29/292001 ↗
7. Recent developments in forward osmosis: opportunities and challenges10.1016/j.memsci.2011.12.023 ↗
8. Water purification by membranes: the role of polymer science10.1002/polb.22037 ↗
9. Relating organic fouling of reverse osmosis membranes to intermolecular adhesion forces10.1021/es051825h ↗
10. A completely theoretical approach for assessing fouling propensity along a full-scale reverse osmosis process10.1016/j.desal.2011.12.014 ↗
11. Reverse osmosis technology for water treatment: state of the art review10.1016/j.desal.2010.09.001 ↗
12. Boron removal from saline water: a comprehensive review10.1016/j.desal.2010.05.012 ↗
13. Ion exclusion by sub-2-nm carbon nanotube pores10.1073/pnas.0710437105 ↗
14. Novel nanomaterials for water desalination technology10.1109/SusTech.2013.6617333 ↗
15. Selective molecular transport through intrinsic defects in a single layer of CVD graphene10.1021/nn303869m ↗
16. Two-Dimensional material membranes: an emerging platform for controllable mass transport applications10.1002/smll.201401549 ↗
17. Water transport through ultrathin graphene10.1021/jz100240r ↗
18. Enabling graphene oxide nanosheets as water separation membranes10.1021/es400571g ↗
19. pH-tunable ion selectivity in carbon nanotube pores10.1021/la101943h ↗
20. The preparation of zeolite NaA membranes on the inner surface of hollow fiber supports10.1016/j.memsci.2012.03.068 ↗
21. Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: insight from molecular simulation10.1063/1.3573902 ↗
22. Pervaporative seawater desalination using NaA zeolite membrane: mechanisms of high water flux and high salt rejection10.1016/j.memsci.2011.01.049 ↗
23. Enhanced capacitive deionization performance of graphene/carbon nanotube composites10.1039/c2jm31393f ↗
24. Fast reverse osmosis using boron nitride and carbon nanotubes10.1063/1.2907333 ↗
25. Functionalized graphene sheets for arsenic removal and desalination of sea water10.1016/j.desal.2011.01.038 ↗
26. Ultimate permeation across atomically thin porous graphene10.1126/science.1249097 ↗
27. Why are carbon nanotubes fast transporters of water?10.1021/nl072385q ↗
28. Molecular dynamics study on water desalination through functionalized nanoporous graphene10.1016/j.carbon.2017.01.099 ↗
29. Water desalination across nanoporous graphene10.1021/nl3012853 ↗
30. Selective ion passage through functionalized graphene nanopores10.1021/ja804409f ↗
31. High permeability and salt rejection reverse osmosis by a zeolite nano-membrane10.1039/c3cp43854f ↗
32. Molecular dynamics simulations in membrane-based water treatment processes: a systematic overview10.1016/j.memsci.2013.03.027 ↗
33. Multilayer nanoporous graphene membranes for water desalination10.1021/acs.nanolett.5b04089 ↗
34. Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination10.1063/1.4892638 ↗
35. Water desalination with a single-layer MoS2 nanopore10.1038/ncomms9616 ↗
36. Selective gas diffusion in graphene oxides membranes: a molecular dynamics simulations study10.1021/am509048k ↗
37. Understanding water permeation in graphene oxide membranes10.1021/am500777b ↗
38. Tunable water desalination across graphene oxide framework membranes10.1039/c4cp01051e ↗
39. On the atomic weight of graphite
40. Verfahren zur Darstellung der Graphitsäure10.1002/cber.18980310237 ↗
41. Preparation of graphitic oxide10.1021/ja01539a017 ↗
42. Separation performance of graphene oxide membrane in aqueous solution10.1021/acs.iecr.6b00620 ↗
43. Spirally wrapped reverse osmosis membrane cell, in, Google Patents, 1968.
44. Mechanical properties of monolayer graphene oxide10.1021/nn101781v ↗
45. Environmental applications of graphene-based nanomaterials10.1039/C5CS00021A ↗
46. Structural evolution during the reduction of chemically derived graphene oxide10.1038/nchem.686 ↗
47. Room-temperature metastability of multilayer graphene oxide films10.1038/nmat3316 ↗
48. The chemistry of graphene oxide10.1039/B917103G ↗
49. General atomic and molecular electronic structure system10.1002/jcc.540141112 ↗
50. Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis10.1002/jcc.540110311 ↗
51. Molecular dynamics simulations of ion transport through carbon nanotubes. I. Influence of geometry, ion specificity, and many-body interactions10.1063/1.3387972 ↗
52. Local structure and dynamics in solvent-Swollen polymers10.1021/ma9518767 ↗
53. A modified TIP3P water potential for simulation with Ewald summation10.1063/1.1808117 ↗
54. Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations10.1021/jp8001614 ↗
55. Ueber die Anwendung des Satzes vom Virial in der kinetischen Theorie der Gase10.1002/andp.18812480110 ↗
56. Sur le mélange des gaz [On the mixtures of gases]
57. Scalable molecular dynamics with NAMD10.1002/jcc.20289 ↗
58. A theoretical study of nanostructure membranes for separating Li+ and Mg2+ from Cl−10.1016/j.commatsci.2015.11.029 ↗
59. Functionalized graphene nanosheet as a membrane for water desalination using applied electric fields: insights from molecular dynamics simulations10.1021/acs.jpcc.6b08481 ↗
60. Separation of copper and mercury as heavy metals from aqueous solution using functionalized boron nitride nanosheets: a theoretical study10.1016/j.molstruc.2015.11.058 ↗
61. Removal of a hazardous heavy metal from aqueous solution using functionalized graphene and boron nitride nanosheets: insights from simulations10.1016/j.jmgm.2015.06.012 ↗
62. Particle mesh Ewald: an N⋅log(N) method for Ewald sums in large systems10.1063/1.464397 ↗
63. VMD. visual molecular dynamics10.1016/0263-7855(96)00018-5 ↗
64. Comparison of simple potential functions for simulating liquid water10.1063/1.445869 ↗
65. Detailed analysis of grid-based molecular docking: a case study of CDOCKER—A CHARMm-based MD docking algorithm10.1002/jcc.10306 ↗
66. Constant pressure molecular dynamics simulation: the Langevin piston method10.1063/1.470648 ↗
67. Water desalination with a single-layer MoS2 nanopore10.1038/ncomms9616 ↗
68. Mechanical strength of nanoporous graphene as a desalination membrane10.1021/nl502399y ↗
69. Theory and simulation of water permeation in aquaporin-110.1016/S0006-3495(04)74082-5 ↗
70. Pressure-Induced water transport in membrane channels studied by molecular dynamics10.1016/S0006-3495(02)75157-6 ↗
71. Molecular dynamics simulation of trihalomethanes separation from water by functionalized nanoporous graphene under induced pressure10.1016/j.ces.2015.01.048 ↗
72. Designing carbon nanotube membranes for efficient water desalination10.1021/jp709845u ↗
73. Molecular dynamics simulation of transport of water/DMSO and water/acetone mixtures through boron nitride nanotube10.1016/j.fluid.2016.06.010 ↗
74. Water desalination using nanoporous single-layer graphene10.1038/nnano.2015.37 ↗
75. Baker · 2012
76. A review of water treatment membrane nanotechnologies10.1039/c0ee00541j ↗
77. Desalination by reverse osmosis using MFI zeolite membranes10.1016/j.memsci.2004.06.045 ↗
78. Modeling the impacts of feed spacer geometry on reverse osmosis and nanofiltration processes10.1016/j.cej.2008.10.030 ↗