Data for Microkinetic modeling of the transient CO2 methanation with DFT-based uncertainties in a Berty reactor
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资源简介：
Dataset and scripts for the manuscript "Microkinetic modeling of the transient CO2 methanation with DFT-based uncertainties in a Berty reactor", which has been submitted for review. The file contains all the raw data and the evaluation of the experiments. Additionally, all scripts for the microkinetic model are provided to perform transient simulations with all 5000 methanation mechanisms investigated in the manuscript.
创建时间：
2022-04-30
