A study of the mechanisms of vanillin pyrolysis by mass spectrometry and multivariate analysis

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).