Theoretical Analysis on the Removal of Volatile Organic Compounds by Microwave plasma

Abstract

Volatile Organic Compounds (VOCs) are a significant class of environmental pollutants with detrimental effects on human health and ecosystems. The development of efficient and reliable methods for VOC detection and degradation is crucial for environmental protection and industrial safety. Microwave plasma technology has emerged as a promising approach for VOC abatement due to its high energy efficiency, rapid reaction rates, and ability to operate at ambient conditions. Meanwhile, Density Functional Theory (DFT) has become an indispensable tool for understanding the molecular interactions and reaction mechanisms involved in VOC degradation processes. This study investigates the synergistic application of microwave plasma and DFT to enhance the understanding and optimization of acetone degradation. The results show that in the plasma field formed by microwave plasma, acetone can achieve direct degradation through the cleavage of covalent bonds, and can also undergo oxidation reactions with active free radicals to achieve indirect degradation. The theoretical calculation results are consistent with the experimental results, verifying the degradation of acetone via microwave plasma would be an efficient approach.