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Title: Understanding the ignition mechanism of high-pressure spray flames

A conceptual model for turbulent ignition in high-pressure spray flames is presented. The model is motivated by first-principles simulations and optical diagnostics applied to the Sandia n-dodecane experiment. The Lagrangian flamelet equations are combined with full LLNL kinetics (2755 species; 11,173 reactions) to resolve all time and length scales and chemical pathways of the ignition process at engine-relevant pressures and turbulence intensities unattainable using classic DNS. The first-principles value of the flamelet equations is established by a novel chemical explosive mode-diffusion time scale analysis of the fully-coupled chemical and turbulent time scales. Contrary to conventional wisdom, this analysis reveals that the high Damköhler number limit, a key requirement for the validity of the flamelet derivation from the reactive Navier–Stokes equations, applies during the entire ignition process. Corroborating Rayleigh-scattering and formaldehyde PLIF with simultaneous schlieren imaging of mixing and combustion are presented. Our combined analysis establishes a characteristic temporal evolution of the ignition process. First, a localized first-stage ignition event consistently occurs in highest temperature mixture regions. This initiates, owed to the intense scalar dissipation, a turbulent cool flame wave propagating from this ignition spot through the entire flow field. This wave significantly decreases the ignition delay of lower temperature mixturemore » regions in comparison to their homogeneous reference. This explains the experimentally observed formaldehyde formation across the entire spray head prior to high-temperature ignition which consistently occurs first in a broad range of rich mixture regions. There, the combination of first-stage ignition delay, shortened by the cool flame wave, and the subsequent delay until second-stage ignition becomes minimal. A turbulent flame subsequently propagates rapidly through the entire mixture over time scales consistent with experimental observations. As a result, we demonstrate that the neglect of turbulence-chemistry-interactions fundamentally fails to capture the key features of this ignition process.« less
Authors:
 [1] ;  [2] ;  [1] ;  [1]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. RWTH Aachen Univ. (Germany)
Publication Date:
Report Number(s):
SAND-2015-10580C
Journal ID: ISSN 1540-7489; PII: S1540748916304126
Grant/Contract Number:
AC04-94AL85000
Type:
Accepted Manuscript
Journal Name:
Proceedings of the Combustion Institute
Additional Journal Information:
Journal Volume: 36; Journal Issue: 2; Conference: Proposed for presentation at the Thirty-Sixth International Symposium on Combustion, Seoul (Korea), 31 Jul - 5 Aug 2016; Journal ID: ISSN 1540-7489
Publisher:
Elsevier
Research Org:
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; flamelet; LLNL kinetics; optical diagnostics; auto-ignition; turbulence-chemistry-interactions
OSTI Identifier:
1335734
Alternate Identifier(s):
OSTI ID: 1397909

Dahms, Rainer N., Paczko, Günter A., Skeen, Scott A., and Pickett, Lyle M.. Understanding the ignition mechanism of high-pressure spray flames. United States: N. p., Web. doi:10.1016/j.proci.2016.08.023.
Dahms, Rainer N., Paczko, Günter A., Skeen, Scott A., & Pickett, Lyle M.. Understanding the ignition mechanism of high-pressure spray flames. United States. doi:10.1016/j.proci.2016.08.023.
Dahms, Rainer N., Paczko, Günter A., Skeen, Scott A., and Pickett, Lyle M.. 2016. "Understanding the ignition mechanism of high-pressure spray flames". United States. doi:10.1016/j.proci.2016.08.023. https://www.osti.gov/servlets/purl/1335734.
@article{osti_1335734,
title = {Understanding the ignition mechanism of high-pressure spray flames},
author = {Dahms, Rainer N. and Paczko, Günter A. and Skeen, Scott A. and Pickett, Lyle M.},
abstractNote = {A conceptual model for turbulent ignition in high-pressure spray flames is presented. The model is motivated by first-principles simulations and optical diagnostics applied to the Sandia n-dodecane experiment. The Lagrangian flamelet equations are combined with full LLNL kinetics (2755 species; 11,173 reactions) to resolve all time and length scales and chemical pathways of the ignition process at engine-relevant pressures and turbulence intensities unattainable using classic DNS. The first-principles value of the flamelet equations is established by a novel chemical explosive mode-diffusion time scale analysis of the fully-coupled chemical and turbulent time scales. Contrary to conventional wisdom, this analysis reveals that the high Damköhler number limit, a key requirement for the validity of the flamelet derivation from the reactive Navier–Stokes equations, applies during the entire ignition process. Corroborating Rayleigh-scattering and formaldehyde PLIF with simultaneous schlieren imaging of mixing and combustion are presented. Our combined analysis establishes a characteristic temporal evolution of the ignition process. First, a localized first-stage ignition event consistently occurs in highest temperature mixture regions. This initiates, owed to the intense scalar dissipation, a turbulent cool flame wave propagating from this ignition spot through the entire flow field. This wave significantly decreases the ignition delay of lower temperature mixture regions in comparison to their homogeneous reference. This explains the experimentally observed formaldehyde formation across the entire spray head prior to high-temperature ignition which consistently occurs first in a broad range of rich mixture regions. There, the combination of first-stage ignition delay, shortened by the cool flame wave, and the subsequent delay until second-stage ignition becomes minimal. A turbulent flame subsequently propagates rapidly through the entire mixture over time scales consistent with experimental observations. As a result, we demonstrate that the neglect of turbulence-chemistry-interactions fundamentally fails to capture the key features of this ignition process.},
doi = {10.1016/j.proci.2016.08.023},
journal = {Proceedings of the Combustion Institute},
number = 2,
volume = 36,
place = {United States},
year = {2016},
month = {10}
}