Theoretical study on the thermodynamic properties and self-decomposition of methylbenzenediol isomers.

@article{Altarawneh2010TheoreticalSO,
  title={Theoretical study on the thermodynamic properties and self-decomposition of methylbenzenediol isomers.},
  author={M. Altarawneh and A. Al-Muhtaseb and B. Dlugogorski and E. Kennedy and J. Mackie},
  journal={The journal of physical chemistry. A},
  year={2010},
  volume={114 43},
  pages={
          11751-60
        }
}
  • M. Altarawneh, A. Al-Muhtaseb, +2 authors J. Mackie
  • Published 2010
  • Chemistry, Medicine
  • The journal of physical chemistry. A
  • Alkylated hydroxylated aromatics are major constituents of various types of fuels, including biomass and low-rank coal. In this study, thermochemical parameters are obtained for the various isomeric forms of methylbenzenediol isomers in terms of their enthalpies of formation, entropies, and heat capacities. Isodesmic work reactions are used in quantum chemical computations of the reaction enthalpies for O-H and H₂C-H bond fissions and the formation of phenoxy- and benzyl-type radicals. A… CONTINUE READING
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