In this paper, we perform molecular dynamics simulations to investigate the performance of multilayer graphene slit membranes. Graphene slit membranes at a critical slit size have been found to be promising desalination membranes. In this contribution, it is shown that multilayer slit membranes have the potential to provide significantly better permeability while retaining outstanding salt rejection. Improved permeability of the membrane is achieved by using slits of widths larger than the critical slit size required to reject salt through size exclusion, and desalination of sea water is performed by increased resistance to salt passage through the multilayering. To facilitate the design process of future multilayer membranes, we analyze the flow resistance of the membrane as a combination of electrical resistors in series and show that this analogy works for membranes where the layers possess the same slit size, as well as membranes with layers of different slit sizes. Comparing with single layer graphene membranes, it was shown that it is possible to obtain 55% improvement in permeability without loss in salt rejection capabilities through multilayering. This opens up possibilities for membrane designers to be free from the restrictions of using a single layer graphene slit membrane with a fixed slit width.
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http://dx.doi.org/10.1021/acsami.2c05425 | DOI Listing |
Int J Biol Macromol
January 2025
Liaoning Key Laboratory for Chemical Clean Production, Liaoning Key Laboratory for Surface Functionalization of Titanium Dioxide Powder, Institute of Ocean Research, Institute Environmental Research, College of Chemistry and Material Engineering, Bohai University, Jinzhou 121013, Liaoning, China. Electronic address:
To tackle the problem of developing efficient adsorbents for the selective removal of copper ions from wastewater, this investigation focused on the synthesis of Fe-GO/MMT/SA and Al-GO/MMT/SA copper ion adsorbent materials (Fe-GMS and Al-GMS), respectively, by merging two distinct metal ions (Fe(III) and Al(III)) with sodium alginate (SA), graphene oxide (GO), and montmorillonite (MMT). By introducing metal ions with different coordination configurations, the slit structure and pore density of the adsorbents can be effectively controlled, thereby enhancing the selectivity for copper ion adsorption. The results show that Fe-GMS has excellent adsorption capacity for Cu(II) compared with Al(III), and the adsorption capacity and distribution coefficient are 116.
View Article and Find Full Text PDFNano Lett
December 2024
Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Nanoconfined water exhibits astonishing properties that offer new opportunities in physics, biology and technology like energy-storage applications. Here we study such nanoconfined water using molecular dynamics simulations to elucidate the structure and dynamics of water monolayers in graphene-based slit pores. The significant population of dangling (or free) O-H bonds pointing toward the two confining walls, leads to topological frustration in the hydrogen bond network.
View Article and Find Full Text PDFLangmuir
December 2024
California Institute of Technology, Pasadena, California 91125, United States.
J Phys Chem Lett
November 2024
Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong 999077, China.
Nanopore sensing is now reshaping analytical proteomics with its simplicity, convenience, and high sensitivity. Determining the length of polyglutamine (polyQ) is crucial for the rapid screening of Huntington's disease. In this computational study, we present a cross-nanoslit detection approach to determine the polyQ length, where the nanoslit is carved within a two-dimensional (2D) in-plane heterostructure of graphene (GRA) and hexagonal boron nitride (hBN).
View Article and Find Full Text PDFACS Omega
October 2024
College of Science, Guizhou Institute of Technology, Boshi Road, Dangwu Town, Gui'an New District, Guizhou 550025, China.
Tortuosity is a crucial characteristic of porous materials, such as the shale matrix where shale gas is stored. The presence of tortuous nanochannels significantly affects the adsorption and transport of nanoflows. In this research, we use molecular dynamics simulation (MD) to study the adsorption and transport properties of shale gas (methane) in a curved slit-like nanochannel constructed from bent graphene sheets.
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