Home

About

Advanced Search

Browse by Discipline

Scientific Societies

E-print Alerts

Add E-prints

E-print Network
FAQHELPSITE MAPCONTACT US


  Advanced Search  

 
309r 2009 American Chemical Society pubs.acs.org/EF Energy Fuels 2010, 24, 309317 : DOI:10.1021/ef900803q
 

Summary: 309r 2009 American Chemical Society pubs.acs.org/EF
Energy Fuels 2010, 24, 309317 : DOI:10.1021/ef900803q
Published on Web 11/20/2009
Multi-element Flux Analysis for the Incorporation of Detailed Kinetic Mechanisms in
Reactive Simulations
Kaiyuan He, Ioannis P. Androulakis, and Marianthi G. Ierapetritou*
Department of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway,
New Jersey 08854
Received July 28, 2009. Revised Manuscript Received November 3, 2009
A method is proposed in this paper based on element flux analysis, which is used for the efficient
incorporation of detailed fuel combustion and pollutant formation mechanisms in realistic flow calcula-
tions. Specifically, a multi-element flux analysis and a tree searching procedure are introduced to
incorporate NOx and soot formation in reduced mechanisms that are generated on the fly during the
simulation in addition to the main fuel oxidation network. The inclusion of detailed kinetics in the
simulation facilitates the study of combustion characteristics, including ignition time delay, pollutant
emission level, and species concentration history. A reaction mechanism of the aviation fuel JP-10 with
NOx and soot formation is used to demonstrate the proposed approach. Simulation results using the on-
the-fly reduced representation are compared to experimental data, and excellent agreement was observed.
Introduction
Fossil fuels have contributed approximately 85% of the

  

Source: Androulakis, Ioannis (Yannis) - Biomedical Engineering Department & Department of Chemical and Biochemical Engineering, Rutgers University
Rutgers University, Rutgers Center for Operations Research

 

Collections: Biology and Medicine; Engineering