Flow reactor measurements and kinetic modeling of nitrogen oxides (NOx) perturbed synthetic natural gas oxidation

Fahd E. Alam, Francis M. Haas, Tanvir I. Farouk, Frederick L. Dryer

Research output: Contribution to conferencePaperpeer-review

1 Scopus citations

Abstract

The influence of trace (∼25 ppm) nitrogen oxides (NOx) on promoting reactivity of the post-induction oxidation of a 98% methane + 2% ethane synthetic natural gas blend has been experimentally studied in a high pressure laminar flow reactor (HPLFR) at 10±0.2 atm, 819±5 K, and equivalence ratios of φ = 0.5, 1.0, and 2.0. Each set of experimental measurements was subsequently simulated using different existing C0-C2+NOx kinetic models. Predicted interactions between NOx and C0-C2 chemistry sub-models varies significantly among these kinetic models both in terms of qualitative (mechanistic) and quantitative character. The present experiments along with respective simulations suggest that the often cited reaction CH3 + NO2 ↔ CH3O + NO incompletely describes NOx coupling to the pool of reactive fuel fragments at relatively higher pressures and lower temperatures. Instead, the increasing importance of chemistry related to methylperoxy (CH3O2) and nitromethane (CH3NO2) is highlighted. Frequently used kinetic models that lack (accurate) CH3O2- and CH3NO2-related sub-models predict trends in overall reactivity and NOx mole fractions that vary from quantitatively distorted to qualitatively incorrect. Such inconsistencies may lead to erroneous interpretation/consequences for engine design/evaluation computations, particularly in a "single digit" ppm NOx regulatory environment.

Original languageEnglish (US)
StatePublished - 2016
Externally publishedYes
Event2016 Spring Technical Meeting of the Eastern States Section of the Combustion Institute, ESSCI 2016 - Princeton, United States
Duration: Mar 13 2016Mar 16 2016

Conference

Conference2016 Spring Technical Meeting of the Eastern States Section of the Combustion Institute, ESSCI 2016
Country/TerritoryUnited States
CityPrinceton
Period3/13/163/16/16

All Science Journal Classification (ASJC) codes

  • Mechanical Engineering
  • Physical and Theoretical Chemistry
  • General Chemical Engineering

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