Zero-dimensional chemical kinetic simulation of ROS/RNS in pulsed-discharge exposed water

Abstract

The concentration variations of reactive oxygen/nitrogen species in water, such as H2O2, NO2-, and NO3- generated by pulsed-discharge plasma exposure, are calculated using reaction rates of chemical reactions and acid-base equilibrium in water. The calculated concentrations and pH values are in good agreement with measured data within the range where the significant changes of the measured data are observed. The rate constant for ONOOH generation is estimated to be 7.8 ×103 M-2 s-1, and this value is in good agreement with previously reported values. The generation rates of H2O2, NO2-, and NO3- are estimated to be 7.70 ×10-7, 4.10 ×10-7, and 1.10 ×10-7 M s-1, respectively.