Modeling Study of Chemical Kinetics and Vibrational Excitation in a Volumetric DBD in Humid Air at Atmospheric Pressure

IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL
Giacomo Pierotti, Arturo Popoli, Carlos Daniel Pintassilgo, Andrea Cristofolini
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Abstract

A zero-dimensionl model is developed to study the chemical kinetics of a volumetric dielectric barrier discharge (DBD) reactor operating with humid air at atmospheric pressure. This work focuses on the relation between molecular vibrational excitation, the plasma reactor input power and the number densities of several species that are known to play an important role in biomedical applications (e.g. \(\textrm{O}_{3},\textrm{NO, NO}_{2}\), ...). A preliminary study is carried out to observe the influence of water molecules on the electron energy distribution function for different values of water concentration and reduced electric field. A simplified approach is then adopted to quantify the contribution of vibrationally-excited \(\textrm{O}_{2}\) molecules to \(\textrm{NO}\) formation. The results obtained using our detailed model suggest that for the physical conditions considered in this work \(\textrm{O}_{2}\) vibrational kinetics can be neglected without compromising the overall accuracy of the simulation. Finally, a reaction set is coupled with an equivalent circuit model to simulate the E-I characteristic of a typical DBD reactor. Different simulations were carried out considering different values of the average plasma input power densities. A particular focus was given to the influence of the Zeldovich mechanism on \(\textrm{O}_{3}\) and \(\textrm{NO}_\textrm{X}\) production performing simulations where this reaction is not considered. The obtained results are shown and the role of vibrationally excited \(\textrm{N}_{2}\) molecules is discussed. The simulation results indicate also that \(\textrm{N}_{2}\) vibrational excitation, and more precisely the Zeldovich mechanism, has a larger effect on \(\textrm{O}_{3}\) and \(\textrm{NO}_\textrm{X}\) production at intermediate input power levels.

Abstract Image

大气压下潮湿空气中体积式 DBD 的化学动力学和振动激发模型研究
本研究建立了一个零维模型,用于研究在大气压下使用潮湿空气运行的体积式介质阻挡放电(DBD)反应器的化学动力学。这项工作的重点是分子振动激发、等离子体反应器输入功率和已知在生物医学应用中发挥重要作用的几种物质(例如:\(textrm{O}_{3},\textrm{NO, NO}_{2}/),......)的数量密度之间的关系。我们进行了一项初步研究,以观察在不同的水浓度值和还原电场下,水分子对电子能量分布函数的影响。然后采用一种简化的方法来量化振动激发的 \(\textrm{O}_{2}\) 分子对 \(\textrm{NO}\) 形成的贡献。使用我们的详细模型得到的结果表明,在本文所考虑的物理条件下,可以忽略 \(textrm{O}_{2}\)振动动力学,而不会影响模拟的整体准确性。最后,反应组与等效电路模型相结合,模拟典型 DBD 反应器的 E-I 特性。考虑到平均等离子体输入功率密度的不同值,进行了不同的模拟。在不考虑该反应的模拟中,特别关注了Zeldovich机制对\(\textrm{O}_{3}\)和\(\textrm{NO}_\textrm{X}\)产生的影响。结果显示了振动激发的 \(\textrm{N}_{2}\)分子的作用。模拟结果还表明,在中等输入功率水平下,(textrm{N}_{2}\)振动激发,更确切地说是泽尔多维奇机制,对(textrm{O}_{3}\)和(textrm{NO}_textrm{X}\)产生的影响更大。
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来源期刊
Plasma Chemistry and Plasma Processing
Plasma Chemistry and Plasma Processing 工程技术-工程:化工
CiteScore
5.90
自引率
8.30%
发文量
73
审稿时长
6-12 weeks
期刊介绍: Publishing original papers on fundamental and applied research in plasma chemistry and plasma processing, the scope of this journal includes processing plasmas ranging from non-thermal plasmas to thermal plasmas, and fundamental plasma studies as well as studies of specific plasma applications. Such applications include but are not limited to plasma catalysis, environmental processing including treatment of liquids and gases, biological applications of plasmas including plasma medicine and agriculture, surface modification and deposition, powder and nanostructure synthesis, energy applications including plasma combustion and reforming, resource recovery, coupling of plasmas and electrochemistry, and plasma etching. Studies of chemical kinetics in plasmas, and the interactions of plasmas with surfaces are also solicited. It is essential that submissions include substantial consideration of the role of the plasma, for example, the relevant plasma chemistry, plasma physics or plasma–surface interactions; manuscripts that consider solely the properties of materials or substances processed using a plasma are not within the journal’s scope.
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