Shock-tube pyrolysis of acetylene - Sensitivity analysis of the reaction mechanism for soot formationThe impact of thermodynamic parameters on the sensitivity of model predictions of soot formation by shock-tube pyrolysis of acetylene were assessed analytically. The pyrolysis process was treated as having three components: initiation, the initial pyrolysis stages; cyclization, formation of larger molecules and radicals and small aromatic molecules; and polymerization, further growth of aromatic rings. Rate equations are reviewed for each component. Thermodynamic effects were assessed by varying the C2H-H and C2H3-H bond energies and the Ct-(Ct) group additivity value. Any change in the C2H-H bond energy had a significant impact on the temperature and the maximum amount of the soot yield. The findings underscore the necessity of using accurate thermodynamic data for modeling high-temperature chemical kinetics.
Document ID
19870025324
Acquisition Source
Legacy CDMS
Document Type
Conference Paper
Authors
Frenklach, M. (Pennsylvania State University University Park, United States)
Clary, D. W. (Louisiana State University; Ethyl Corp., Baton Rouge, LA, United States)
Gardiner, W. C., Jr. (Louisiana State University Baton Rouge; Texas, University, Austin, United States)
Stein, S. E. (Louisiana State University Baton Rouge; NBS, Chemical Kinetics Div., Washington, DC, United States)
Date Acquired
August 13, 2013
Publication Date
January 1, 1986
Subject Category
Inorganic And Physical Chemistry
Accession Number
87A12598
Funding Number(s)
CONTRACT_GRANT: NAG3-477 CONTRACT_GRANT: NASA ORDER C-80000-E