A Study of the Mechanisms of Vanillin Pyrolysis by Mass Spectrometry and Multivariate Analysis

Eun Jae Shin, Mark R. Nimlos, Robert J. Evans

Research output: Contribution to journalArticlepeer-review

62 Scopus Citations

Abstract

The pyrolysis of vanillin (3-methoxy-4-hydroxy-benzaldehyde) was studied to determine the reaction pathways that lead to the formation of aromatics and to establish an empirical kinetic model. Molecular beam mass spectrometry and multivariate data analysis were used to follow the complicated pyrolysis chemistry and to determine quantitative kinetic parameters of aromatic hydrocarbon formation. The pyrolysis of vanillin is modeled as a lumped, two-step, sequential process. Possible identification of reaction intermediates is discussed utilizing known reaction mechanisms and thermochemistry for anisole (C6H5OCH3), phenol (C6H5OH), and benzaldehyde (C6H5CHO).

Original languageAmerican English
Pages (from-to)1689-1696
Number of pages8
JournalFuel
Volume80
Issue number12
DOIs
StatePublished - Oct 2001

NREL Publication Number

  • NREL/JA-510-31280

Keywords

  • Kinetics
  • Multivariate factor analysis
  • Pyrolysis
  • Vanillin

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