Reduced chemical kinetic model for CH4-air non-premixed flames including excited and charged species

Claudia-F. López-Cámara, Chiara Saggese, William J. Pitz, Xiao Shao, Hong G. Im, Derek Dunn-Rankin

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Electric fields can impact small laminar flames by changing their shape and overall behavior by acting on charged species produced in combustion. However, no reduced chemical kinetic model has been developed considering both major species and minor species related to flame characterization and flame behavior in the presence of an electric field. This study presents a reduced chemical kinetic model for methane-air combustion which includes minor excited species (CH∗ and OH∗) and charged species (H3O+,HCO+, C2H3O+, CH5 O+, O−2 , OH−, e− , CO−3 , CHO−2 , O−, CHO−3 ). The results employing the reduced chemistry model have been validated for a two-dimensional flame geometry by comparison with (i) detailed chemistry simulation results for species location and peak values, and (ii) experimental CH∗ chemiluminescence location, considering the self-repulsion of charges yet without externally applied electric field to the flame. This reduced chemical kinetic model, with 45 species and 216 reactions, shows a computational demand one-third that of employing its equivalent detailed chemistry (83 species and 394 reactions). The reduction is modest but significant considering that high fidelity is needed to capture the behavior of the chemi-ion and chemiluminescent species. Future works will involve the use of this model for simulations predicting flame behavior with applied electric field (i.e., field strength = 0 kV/cm).
Original languageEnglish (US)
Pages (from-to)112822
JournalCombustion and Flame
Volume253
DOIs
StatePublished - May 9 2023

Bibliographical note

KAUST Repository Item: Exported on 2023-05-18
Acknowledgements: This work was supported by the National Science Foundation - INTERN program (supplement to CBET-1605533) and the ACME project from NASA by NASA’s ISS Research (NNX07AB55A) with Dennis Stocker as contract monitor. The work at Lawrence Livermore National Laboratory was performed under the auspices of the U.S. Department of Energy under Contract DE-AC52-07NA27344. This work is also supported by King Abdullah University of Science and Technology (KAUST), particularly through the KAUST Supercomputing Laboratory resources. The authors would also like to thank Dr. Scott Wagon and Dr. Goutham Kukkadapu for the discussions and suggestions.

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • General Physics and Astronomy
  • General Chemical Engineering
  • General Chemistry
  • Fuel Technology

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