Journals
Publish with us
Publishing partnerships
About us
Blog
Journal of Chemistry
Journal overview
For authors
For reviewers
For editors
Table of Contents
Special Issues
Journal of Chemistry
/
2020
/
Article
/
Tab 2
/
Research Article
Mechanistic Investigation of the Pyrolysis of Brown Grease
Table 2
Relative energies, enthalpies, and Gibbs energies for the converting of palmitic acid to palmitone in kJ mol-1 at 298 K (Pathways A1 and A2
)
.
B3LYP/6-31G(d)
B3LYP/6-31 + G(d)
M06-2X/6-31G(d)
Ketene formation
Δ
E
−121
−57
−93
Δ
H
−121
−57
−88
Δ
G
−122
−59
−135
Palmitone formation
Δ
E
−151
−149
−139
Δ
H
−146
−148
−135
Δ
G
−171
−159
−150