Third-Body Stabilization of Supercritical CO2 in CO Oxidation: Development and Application of a ReaxFF Force Field for the CO/O/CO2 System

Fuente: arXiv
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Bibliographic Details
Main Authors: Chowdhury, Emdadul Haque, Aryanpour, Masoud, Shin, Yun Kyung, Ramos-Alvarado, Bladimir, Ihme, Matthias, van Duin, Adri
Format: Preprint
Published: 2025
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