Abstract
n-Butanol pyrolysis in a flow reactor was investigated at the pressures of 5, 30, 80, 200, and 760 Torr. Synchrotron vacuum ultraviolet photoionization mass spectrometry was used for the identification of pyrolysis species and the measurement of their mole fractions. A detailed kinetic model consisting of 121 species and 658 reactions was developed to simulate the n-butanol pyrolysis. To enhance the accuracy of the model, the rate constants of unimolecular reactions of n-butanol and β-scission reactions of four n-butanol radicals (C4H8OH) were calculated with the variable reaction coordinate–transition-state theory (VRC–TST) and the Rice–Ramsperger–Kassel–Marcus (RRKM) theory coupled with the master equation method. These rates are very sensitive to the mole fractions of pyrolysis species and have been well-validated by the pyrolysis experiment. The model was further validated by the low-pressure premixed flames at different equivalence ratios, oxidation data from the jet-stirred reactor, and ignition del...
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
