Analysis of the influence of ions on degradation of benzamide with hydrodynamic cavitation technology

JOURNAL OF MOLECULAR LIQUIDS(2024)

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摘要
In recent years, hydrodynamic cavitation technology has become a research hotspot in various fields. This study establishes a benzamide model with different ion types, ion concentrations, and bubble radii. The model is used to study the diffusivity of water molecules on the benzamide wall and structural changes in benzamide. The influence of ion type, ion concentration, and bubble radius on the degradation of pollutants is examined. The results are as follows: the larger the bubble radius and ion concentration, the larger the rate of change of maximum radial distribution function of carbon atoms (w). The effect of ion type on the diffusion coefficient of water molecules on the benzamide wall is as follows: H2O2 > HCO3-1 > NO3-1. In terms of structural changes in the benzamide, in the model containing H2O2, ion concentration has a greater effect than bubble radius. In the model containing HCO3-1, bubble radius has a greater effect than ion concentration. In the model containing NO3-1, bubble radius and ion concentration have an equal effect. w decreases most in the model containing H2O2 and least in the model containing NO3-1. The model containing H2O2 produces the most powerful effect in benzamide pollutant degradation. This study provides technical guidance and a theoretical basis for the green treatment of pollutants using cavitation theory.
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关键词
Molecular dynamics simulation,Bubble collapse,Ion type,Ion concentration,Bubble radius
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