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Highly Reduced Species Mechanisms for iso‐Cetane Using the Local Self‐Similarity Tabulation Method
Author(s) -
Kourdis Panayotis D.,
Bellan Josette
Publication year - 2016
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.21029
Subject(s) - chemistry , cetane number , similarity (geometry) , combustion , mechanism (biology) , kinetic energy , bar (unit) , stoichiometry , thermodynamics , organic chemistry , computer science , meteorology , classical mechanics , catalysis , philosophy , physics , epistemology , artificial intelligence , image (mathematics) , biodiesel
We utilize the local self‐similarity tabulation method to drastically downsize the number of species involved in a detailed kinetic mechanism of iso‐cetane. Reduced‐species mechanisms of 20 and 15 species are constructed, out of the 1114 species involved in the detailed mechanism, with a focus on high‐pressure combustion. The performance of the two reduced mechanisms are compared to the detailed one for a lean (ϕ = 0.5), stoichiometric (ϕ = 1.0), and rich (ϕ = 1.5) iso‐cetane/air mixture at initial temperatures of 900 and 1100 K and constant pressures of 20 and 40 bar. Good to very good agreement between the detailed kinetic mechanism and the two highly reduced species mechanisms are demonstrated.