Computational diagnostics for n-heptane flames with chemical explosive mode analysis |
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| Authors: | Ruiqin Shan Chun Sang Yoo Jacqueline H. Chen Tianfeng Lu |
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| Affiliation: | 1. School of Mechanical and Manufacturing Engineering, The University of New South Wales, Sydney, NSW 2052, Australia;2. Combustion Research Facility, Sandia National Laboratories, Livermore, CA 96551-0969, USA;3. Center for Computational Sciences and Engineering, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA;4. School of Photovoltaic and Renewable Energy Engineering, The University of New South Wales, Sydney, NSW 2052, Australia;1. CAPS Laboratory, Department of Mechanical and Process Engineering, ETH Zurich, Zurich 8092, Switzerland;2. CERFACS, 42 Avenue G. Coriolis, Toulouse Cedex 0131057, France |
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| Abstract: | Computational flame diagnostics (CFLDs) are systematic tools to extract important information from simulated flames, particularly when detailed chemical kinetic mechanisms are involved. The results of CFLD can be employed for various purposes, e.g. to simplify detailed chemical kinetics for more efficient flame simulations, and to explain flame behaviors associated with complex chemical kinetics. In the present study, the utility of a recently developed method of chemical explosive mode analysis (CEMA) for CFLD will be demonstrated with a variety of flames for n-heptane including auto-ignition, ignition and extinction in steady state perfectly stirred reactors (PSRs) and laminar premixed flames. CEMA was further utilized for analyses and visualization of a direct numerical simulation (DNS) dataset for a 2-D n-heptane–air flame under homogeneous charge compression ignition (HCCI) conditions. CEMA was found to be a versatile method for systematic detection of many critical flame features including ignition, extinction, premixed flame fronts, and flame stabilization mechanisms. The effects of cool flame chemistry for n-heptane on ignition, extinction and flame stability were also investigated with CEMA. |
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