Chemical Kinetic Modeling of Formation of Products of Incomplete Combustion from Spark-ignition Engines

EPA Grant Number: R824970C001
Subproject: this is subproject number 001 , established and managed by the Center Director under grant R824970
(EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).

Center: EERC - Center for Airborne Organics (MIT)
Center Director: Seinfeld, John
Title: Chemical Kinetic Modeling of Formation of Products of Incomplete Combustion from Spark-ignition Engines
Investigators: Hochgreb, Simone
Institution: Massachusetts Institute of Technology
EPA Project Officer: Hahn, Intaek
Project Period:
Project Amount: Refer to main center abstract for funding details.
RFA: Center on Airborne Organics (1993) Recipients Lists
Research Category: Targeted Research

Objective:

During the first three months of the investigation, a one-dimensional code has been used to investigate the chemistry of oxidation of propane from unburned hydrocarbon layers near cold walls during the post flame expansion. The results show that the core gas temperature has the biggest impact on the oxidation level of unburned hydrocarbons and on the production of incomplete combustion products. Accordingly, at early stages of the expansion process (with core temperatures above 1800 K), oxidation is fast and complete. At later stages, when core temperatures drop below 1600 K, the oxidation rate decreases and the ratio of non-fuel intermediates to the original fuel increases. Finally at the end of expansion, the oxidation rate becomes very slow and a high portion of fuel survives oxidation with smaller production of intermediate hydrocarbons. Simulations show that transport rates and the assumed thickness of the initial thermal boundary layer near the wall have only moderate impact on the oxidation level and fuel/nonfuel ratio.

Supplemental Keywords:

modeling, combustion, hydrocarbons., RFA, Scientific Discipline, Air, Waste, particulate matter, Environmental Chemistry, Atmospheric Sciences, Incineration/Combustion, ambient aerosol, combustion byproducts, ambient air quality, particulates, oxidation, hydrocarbon, products of incomplete combustion (PIC), chemical contaminants, modeling, emissions, chemical kinetics, hydrocarbons, combustion, incineration, kinetc models, engine deposits, modeling studies, spark ignition engines, combustion contaminants, atmospheric chemistry

Progress and Final Reports:

  • 1900
  • 1901
  • 1902
  • 1903
  • 1904
  • 1905
  • 1906
  • 1907
  • 1908
  • 1909
  • 1910
  • 1911
  • 1912
  • 1913
  • 1914
  • 1915
  • 1916
  • 1917
  • 1918
  • 1919
  • 1920
  • 1921
  • 1922
  • 1923
  • 1924
  • 1925
  • 1926
  • 1927
  • 1928
  • 1929
  • 1930
  • 1931
  • 1932
  • 1933
  • 1934
  • 1935
  • 1936
  • 1937
  • 1938
  • 1939
  • 1940
  • 1941
  • 1942
  • 1943
  • 1944
  • 1945
  • 1946
  • 1947
  • 1948
  • 1949
  • 1950
  • 1951
  • 1952
  • 1953
  • 1954
  • 1955
  • 1956
  • 1957
  • 1958
  • 1959
  • 1960
  • 1961
  • 1962
  • 1963
  • 1964
  • 1965
  • 1966
  • 1967
  • 1968
  • 1969
  • 1970
  • 1971
  • 1972
  • 1973
  • 1974
  • 1975
  • 1976
  • 1977
  • 1978
  • 1979
  • 1980
  • 1981
  • 1982
  • 1983
  • 1984
  • 1985
  • 1986
  • 1987
  • 1988
  • 1989
  • 1990
  • 1991
  • 1992
  • 1993
  • 1994
  • 1995
  • 1996
  • 1997 Progress Report
  • Final

  • Main Center Abstract and Reports:

    R824970    EERC - Center for Airborne Organics (MIT)

    Subprojects under this Center: (EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).
    R824970C001 Chemical Kinetic Modeling of Formation of Products of Incomplete Combustion from Spark-ignition Engines
    R824970C002 Combustion Chamber Deposit Effects on Engine Hydrocarbon Emissions
    R824970C003 Atmospheric Transformation of Volatile Organic Compounds: Gas-Phase Photooxidation and Gas-to-Particle Conversion
    R824970C004 Mathematical Models of the Transport and Fate of Airborne Organics
    R824970C005 Elementary Reaction Mechanism and Pathways for Atmospheric Reactions of Aromatics - Benzene and Toluene
    R824970C006 Simultaneous Removal of Soot and NOx from the Exhaust of Diesel Powered Vehicles
    R824970C007 Modeling Gas-Phase Chemistry and Heterogeneous Reaction of Polycyclic Aromatic Compounds
    R824970C008 Fundamental Study on High Temperature Chemistry of Oxygenated Hydrocarbons as Alternate Motor Fuels and Additives
    R824970C009 Markers for Emissions from Combustion Sources
    R824970C010 Experimental Investigation of the Evolution of the Size and Composition Distribution of Atmospheric Organic Aerosols
    R824970C011 Microengineered Mass Spectrometer for in-situ Measurement of Airborne Contaminants