Abstract

Global Models are widely used to study reaction kinetics in low-temperature plasma discharges. The governing conservative equations are simplified into a system of ordinary differential equations in order to provide computationally feasible conditions to study complex chemistries with hundreds of species and thousands of reactions. This paper presents a detailed two-temperature global model for a H2O–He mixture. The model developed in this work uses a statistical thermodynamics approach to solve the heavy particles energy equation self-consistently together with the electron energy and particles balance equations in order to improve the description of reactive plasma environments. Three analytical test cases are presented to validate and demonstrate the capability of this newly developed functionality embedded in PLASIMO software’s [] global model module. The developed H2O–He models are compared with the reported results for a radio-frequency plasma [] and then with experimental measured electron densities and gas temperature for a microwave induced plasma. In addition, conversion and energy efficiencies of hydrogen and hydrogen peroxide productions are compared with experimental values (only for hydrogen) for a pure H2O microwave induced plasma and with available literature results. This comparison underlines the challenges toward finding an optimal plasma configuration and conditions for production of hydrogen from water. The three analytical test cases for validation of the gas-temperature balance implementation in the PLASIMO global model and the detailed developed H2O–He model can be used as benchmarks for other global plasma models. The PLASIMO input files for the presented H2O–He model are available as supplementary materials (https://stacks.iop.org/PSST/30/075007/mmedia); for any future update, please consult the PLASIMO website, https://plasimo.phys.tue.nl.

Highlights

  • Earth global warming due to emission of anthropogenic green house gases becomes a threatening problem for mankind

  • This paper presents a detailed two-temperature global model for a H2O–He mixture

  • The main motivation to make a global model for H2O and He in this paper is to make a step in understanding underlying mechanisms in H2O–CO2 microwave induced plasmas and production of H2 from H2O, which was previously reported with quite high energy efficiencies in the order of 35%–40% [3]

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Summary

Introduction

Earth global warming due to emission of anthropogenic green house gases becomes a threatening problem for mankind. Luo et al [14] investigated the plasma kinetics in a nanosecond pulsed filamentary discharge in atmospheric Ar–H2O and pure H2O plasmas They studied the main mechanisms in the production of H2O2, which is one of the most important species in biomedical applications of the plasmas. The newly developed functionality for self-consistent calculation of the heavy particles gas temperature is explained and validated with three analytical test cases This extension is important for microwave plasmas and for any application of low-temperature plasmas that are sensitive to variation of gas temperature, as the latter can strongly affect the plasma chemistry and more neutral species kinetics. Conversion of water to hydrogen and hydrogen peroxide in a pure microwave induced water plasma discharge and their energy efficiencies are calculated by modeling the plasma afterglow and compared with measured experimental values (only for production of hydrogen)

Global model description
Electron energy balance
Species density balance
Heavy particles energy balance
Gas temperature modeling validation
Two-temperature model with only elastic collision
One-temperature mixture with power density
H2O–He global model in radio-frequency atmospheric plasma
H2O–He global model in microwave induced plasma
H2O ratio in He–H2O mixture
Plasma volume
Inlet flow
Diffusion loss
Gas temperature measurement
Electron density measurement
Conversion and energy efficiency
Conclusions
Data availability statement
Electron impact: ionization
Electron impact: elastic
Electron impact: attachment and dissociative attachment
Electron impact: dissociative recombination
Vibrational-translational and quenching processes
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