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Title: Charged Species Concentration in Combusting Mixtures Using Equilibrium Chemistry

Abstract

Ionization in flames is of interest in the design and development of modern combustion devices. The identity and concentration of various charged species in reacting mixtures can play an important role in the diagnostics and control of such devices. Simplified chemistry computations that provide good estimates of ionic species in complex flow-fields can be used to model turbulent reacting flows in various combustion devices, greatly reducing the required computational resources for design and development studies. A critical assessment of the use of the equilibrium chemistry method to compute charged species concentration in combusting mixtures under various temperatures, pressures, and thermal disequilibrium conditions is presented. The use of equilibrium chemistry to compute charged species concentrations in propane-air mixtures performed by Calcote and King has been extended. A more accurate computational methodology that includes the effect of negative ions, chemi-ions (H 3O +and CHO +), and thermal nonequilibrium was investigated to evaluate the suitability of equilibrium computations for estimating charged species concentrations in reacting mixtures. The results show that equilibrium computations which include the effects of H 3O +and elevated electron temperatures can indeed explain the levels of ion concentrations observed in laboratory flame experiments under lean and near-stoichiometric conditions. Furthermore, undermore » engine-like conditions at higher temperatures and pressures, equilibrium computations can be used to obtain useful estimates of charged species concentrations in modern combustion devices.« less

Authors:
ORCiD logo [1]
  1. Argonne National Lab. (ANL), Lemont, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1493728
Grant/Contract Number:  
[AC02-06CH11357]
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Combustion
Additional Journal Information:
[ Journal Volume: 2018]; Journal ID: ISSN 2090-1968
Publisher:
Hindawi
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; CEA code; Equilibrium; ionization

Citation Formats

Aithal, S. M. Charged Species Concentration in Combusting Mixtures Using Equilibrium Chemistry. United States: N. p., 2018. Web. doi:10.1155/2018/9047698.
Aithal, S. M. Charged Species Concentration in Combusting Mixtures Using Equilibrium Chemistry. United States. doi:10.1155/2018/9047698.
Aithal, S. M. Thu . "Charged Species Concentration in Combusting Mixtures Using Equilibrium Chemistry". United States. doi:10.1155/2018/9047698. https://www.osti.gov/servlets/purl/1493728.
@article{osti_1493728,
title = {Charged Species Concentration in Combusting Mixtures Using Equilibrium Chemistry},
author = {Aithal, S. M.},
abstractNote = {Ionization in flames is of interest in the design and development of modern combustion devices. The identity and concentration of various charged species in reacting mixtures can play an important role in the diagnostics and control of such devices. Simplified chemistry computations that provide good estimates of ionic species in complex flow-fields can be used to model turbulent reacting flows in various combustion devices, greatly reducing the required computational resources for design and development studies. A critical assessment of the use of the equilibrium chemistry method to compute charged species concentration in combusting mixtures under various temperatures, pressures, and thermal disequilibrium conditions is presented. The use of equilibrium chemistry to compute charged species concentrations in propane-air mixtures performed by Calcote and King has been extended. A more accurate computational methodology that includes the effect of negative ions, chemi-ions (H3O+and CHO+), and thermal nonequilibrium was investigated to evaluate the suitability of equilibrium computations for estimating charged species concentrations in reacting mixtures. The results show that equilibrium computations which include the effects of H3O+and elevated electron temperatures can indeed explain the levels of ion concentrations observed in laboratory flame experiments under lean and near-stoichiometric conditions. Furthermore, under engine-like conditions at higher temperatures and pressures, equilibrium computations can be used to obtain useful estimates of charged species concentrations in modern combustion devices.},
doi = {10.1155/2018/9047698},
journal = {Journal of Combustion},
number = ,
volume = [2018],
place = {United States},
year = {2018},
month = {10}
}

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