A catalytic microkinetic analysis software


CATKINAS is a Catalytic MicroKinetic Analysis Software aimed for Mechanism Auto-analysis and Catalyst Screening. Developed by the group of Haifeng Wang from East China University of Science and Technology since 2014, the package is now built upon more than hundreds of subroutines and ten thousand lines of code used for efficiently solving, analyzing, and visualizing large-scale microkinetic models of various catalytic systems.

Consisting of mainly three modules, namely the input module, the solving module and the output module, CATKINAS features a powerful multilevel solver and a multidimensional analyzer. Besides, equipped with parallel processing and a machine learning acceleration program, our package can ensure fast and robust solving process, as well as diverse visualized sensitivity analyzation. By now, CATKINAS has been successfully used in a variety of researches by different groups. We are continuing to develop it with better performance and wider application.

CATKINAS is rather user-friendly and can be performed with any computing platform provided with MATLAB R2014a or higher versions. Users can register on our website and download the newest version of the executable file and users’ manual from our website.

see details in https://doi.org/10.1002/jcc.26464