Journal
CHEMICAL ENGINEERING JOURNAL
Volume 477, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.cej.2023.147019
Keywords
Boron nitride; Microporous; pi-pi interaction; Adsorptive desulfurization; Solvent-free; Density functional theory
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Highly porous boron carbon oxynitride (BCNO) adsorbents were synthesized by modifying the nitrogen precursors, leading to a substantial increase in micropore surface area. The prepared BCNO-UM6:4 adsorbent showed excellent adsorption performance, surpassing other adsorbents synthesized using different methods.
Construction of structurally stable and highly porous materials, like hexagonal boron nitride (h-BN), is a pre-requisite for achieving efficient adsorptive desulfurization (ADS). Nevertheless, the present constraints in pre-cisely adjusting the pore structure parameters of BN impede its further utilization in the field of adsorption. In this study, highly porous boron carbon oxynitride (BCNO) adsorbents were synthesized via a straightforward, one-step solvent-free reaction. By modifying the composition of nitrogen (N) precursors, it was possible to finer tuning the micropore ratio thereby leading to a substantial increase in micropore surface area. Moreover, the fitting coefficients (R2) between Smicropore, Vmicropore, and adsorption capacity are 0.81959 and 0.80547, indicating a strong correlation between the microporous structure and the ADS performance. The prepared BCNO-UM6:4 adsorbent showed excellent adsorption performance with a capacity of 47.2 mg S/g adsorbent, surpassing the adsorbents synthesized using solvent-based methods (39.4 mg S/g adsorbent) and single-source N synthesis (BCNO-U18 32.1 mg S/g adsorbent, BCNO-M6 12.1 mg S/g adsorbent). Experimental results revealed that the main adsorption mechanism is multi-layer adsorption by the micropore filling. Density functional theory (DFT) revealed that the newly formed S-N covalent bonds and C-H & sdot;& sdot;& sdot;N hydrogen bonds are the main driving forces. In summary, this synthetic method expands the production pathway of porous BCNO and has potential application in various research fields.
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