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Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
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Proposal of an open-source computational toolbox for solving PDEs in the context of chemical reaction engineering

Santiago Ortiz-Laverde1, Camilo Rengifo2, Martha Cobo1

  • 1Energy, Materials and Environment Laboratory, Department of Chemical Engineering, Universidad de La Sabana, Campus Universitario Puente del Común, Km. 7 Autopista Norte, Bogotá, Colombia.

Heliyon
|February 1, 2021
PubMed

Keywords:
Aspen custom modelerChemical engineeringFEniCSOpen-source computational toolboxPower-to-methaneo-xylene oxidation

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