Zixuan Wang, Yuanyu Wang, Kuai Yu, Ming Zhang, Tao Ding, Liheng Xu
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引用次数: 0
Abstract
Porous carbon is commonly used in the effective removal of antibiotics from water. The geometry of nanopores plays a vital role in determining the adsorption properties of porous carbon. Aiming to reveal the adsorption mechanism and the dependence on the porous geometry, the mass transfer and adsorption performance of tetracycline (TC) in various shaped carbon nanopores was observed in this study by molecular dynamics (MD) simulation. The results show that the molecular diffusion of water and TC in nanopores is confined than that in bulk solution. The mass transfer in cylindrical through pores (THC) is more efficient than that in blind pores. The accumulated presence probability of TCs within the nanopore of THC is over twice as high as in the blind nanopores. THC exhibits the best adsorption rate and capacity in this study, and the adsorption ability of the blind nannopores follows the order BHC-Cy (cylindrical blind pore) > BHC-Co (conical blind pore) > BHC-Sp (spherical blind pore). Both the cylindrical and bottom surface in BHC-Cy are effective adsorption sites, while the adsorption is seldom found in the bottoms of BHC-Co and BHC-Sp. Surface diffusion of adsorbed TC molecules along the carbon surface was investigated. The sphere-shaped blind pore was found unfavorable for the adsorption of TC from water.
期刊介绍:
Microporous and Mesoporous Materials covers novel and significant aspects of porous solids classified as either microporous (pore size up to 2 nm) or mesoporous (pore size 2 to 50 nm). The porosity should have a specific impact on the material properties or application. Typical examples are zeolites and zeolite-like materials, pillared materials, clathrasils and clathrates, carbon molecular sieves, ordered mesoporous materials, organic/inorganic porous hybrid materials, or porous metal oxides. Both natural and synthetic porous materials are within the scope of the journal.
Topics which are particularly of interest include:
All aspects of natural microporous and mesoporous solids
The synthesis of crystalline or amorphous porous materials
The physico-chemical characterization of microporous and mesoporous solids, especially spectroscopic and microscopic
The modification of microporous and mesoporous solids, for example by ion exchange or solid-state reactions
All topics related to diffusion of mobile species in the pores of microporous and mesoporous materials
Adsorption (and other separation techniques) using microporous or mesoporous adsorbents
Catalysis by microporous and mesoporous materials
Host/guest interactions
Theoretical chemistry and modelling of host/guest interactions
All topics related to the application of microporous and mesoporous materials in industrial catalysis, separation technology, environmental protection, electrochemistry, membranes, sensors, optical devices, etc.