MIT

Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics

Submitted on

Wed, 2019-06-05 12:10

Title

Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics

Publication Type

Journal Article

Year of Publication

2019

Authors

Journal

Proceedings of the Combustion Institute

Volume

37

Pagination

363 – 371

Keywords

Butane oxidation, Computational thermochemistry, thermochemistry, Workflow

DOI

http://dx.doi.org/https://doi.org/10.1016/j.proci.2018.07.113

URL

http://www.sciencedirect.com/science/article/pii/S1540748918305315