Advancing DBD Plasma Chemistry: Insights into Reactive Nitrogen Species such as NO 2 , N 2 O 5 , and N 2 O Optimization and Species Reactivity through Experiments and MD Simulations.

Autor: Shaban M; Institute of Particle Technology, Clausthal University of Technology, 38640 Clausthal-Zellerfeld, Germany.; Institute of Applied Mechanics, Clausthal University of Technology, 38640 Clausthal-Zellerfeld, Germany., Merkert N; Institute of Applied Mechanics, Clausthal University of Technology, 38640 Clausthal-Zellerfeld, Germany., van Duin ACT; Department of Mechanical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States.; RxFF Consulting LLC, 1524 West College Avenue, Suite 202, State College, Pennsylvania 16801, United States., van Duin D; Department of Mechanical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States.; RxFF Consulting LLC, 1524 West College Avenue, Suite 202, State College, Pennsylvania 16801, United States., Weber AP; Institute of Particle Technology, Clausthal University of Technology, 38640 Clausthal-Zellerfeld, Germany.
Jazyk: angličtina
Zdroj: Environmental science & technology [Environ Sci Technol] 2024 Sep 10; Vol. 58 (36), pp. 16087-16099. Date of Electronic Publication: 2024 Aug 29.
DOI: 10.1021/acs.est.4c04894
Abstrakt: This study aims to fine-tune the plasma composition with a particular emphasis on reactive nitrogen species (RNS) including nitrogen dioxide (NO 2 ), dinitrogen pentoxide (N 2 O 5 ), and nitrous oxide (N 2 O), produced by a self-constructed cylindrical dielectric barrier discharge (CDBD). We demonstrated the effective manipulation of the plasma chemical profile by optimizing electrical properties, including the applied voltage and frequency, and by adjusting the nitrogen and oxygen ratios in the gas mixture. Additionally, quantification of these active species was achieved using Fourier transform infrared spectroscopy. The study further extends to exploring the aerosol polymerization of acrylamide (AM) into polyacrylamide (PAM), serving as a model reaction to evaluate the reactivity of different plasma-generated species, highlighting the significant role of NO 2 in achieving high polymerization yields. Complementing our experimental data, molecular dynamics (MD) simulations, based on the ReaxFF reactive force field potential, explored the interactions between reactive oxygen species, specifically hydroxyl radicals (OH) and hydrogen peroxide (H 2 O 2 ), with water molecules. Understanding these interactions, combined with the optimization of plasma chemistry, is crucial for enhancing the effectiveness of DBD plasma in environmental applications like air purification and water treatment.
Databáze: MEDLINE