混合放电臭氧发生的反应动力学模拟

Chemical Kinetics Simulation of Ozone Production Using Multi-discharge

为揭示混合放电臭氧高效发生机理,从反应动力学出发,采用CHEMKIN中Plasma PSR模块对混合放电臭氧发生的反应动力学进行了模拟,并作了敏感性分析和ROP分析,模拟结果与实验结果较相符。模拟结果表明气体压力、气体进口温度、气源流量的减小都有利于臭氧浓度的提高;比能的适当增加有利于臭氧的产生,过大则不利于臭氧合成。由反应路径图得到对臭氧合成的重要组分有O、O(1D)、O_2(b^1∑),并从微观动力学角度进一步验证和说明比能不能过大,因为臭氧前驱物氧原子的最主要途径E+O_2=>O+O+E随着比能和温度的增加,其对臭氧合成的影响下降。另外O(1D)、O_2(b^1∑)以及过多的O的存在不利于臭氧的产生。

A chemical kinetics model, which was established based on plasma Perfectly Stirred Reactor of CHEMKIN, was used to simulate chemical kinetics of ozone generation using multi-discharge and to analyze sensitivity and rate of production.The simulation results show that the prediction agrees well with experimental data, and the ozone concentration increases with decreasing gas pressure, inlet gas temperature and oxygen gas rate. Proper increase of specific energy is benefit for ozone generation, but excessive specific energy show opposite behavior. In terms of reaction pathway of ozone production, O, O（1D） and O2（b1^∑） are the most important species for ozone generation. The fact that the specific energy can＇t be too high are verified and explained from microcosmic chemical kinetics view again, because the effect of major reaction for generating ozone precursor O atom E＋O2=O＋O＋E on ozone production decreases with increasing specific energy and temperature. In addition, the existences of O（1D）, O2（b1^∑） and excessive O are unfavorable for ozone generation.