RMG-Cat version 1.0 examples for automated reaction mechanism generation of heterogeneous catalysis

Files accompanying a manuscript describing the open-source software RMG-Cat, the version of Reaction Mechanism Generator modified for Heterogeneous Catalysis. We demonstrate its use in building a micro-kinetic model for the dry reforming of methane on nickel. Included are the input files, output files, and a Jupyter Python notebook containing all the post-processing needed to generate the figures, and the figures.<br>The manuscript has now been published. Please cite that work as well as this data set:"Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis"C. Franklin Goldsmith and Richard H. WestThe Journal of Physical Chemistry C 2017 121 (18), 9970-9981DOI: 10.1021/acs.jpcc.7b02133<br>