Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions.

@article{Burke2015MultiscaleIF,
  title={Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions.},
  author={Michael P Burke and C Franklin Goldsmith and Stephen J Klippenstein and Oliver Welz and Haifeng Huang and Ivan O Antonov and John D. Savee and David L Osborn and Judit Z{\'a}dor and Craig A Taatjes and Leonid Sheps},
  journal={The journal of physical chemistry. A},
  year={2015},
  volume={119 28},
  pages={7095-115}
}
The present paper describes further development of the multiscale informatics approach to kinetic model formulation of Burke et al. (Burke, M. P.; Klippenstein, S. J.; Harding, L. B. Proc. Combust. Inst. 2013, 34, 547-555) that directly incorporates elementary kinetic theories as a means to provide reliable, physics-based extrapolation of kinetic models to… CONTINUE READING