A new ReaxFF force field for the CO/O/CO2 system shows dense supercritical CO2 stabilizes CO2 from CO + O via third-body collisions, dissipating 133.9 kcal/mol excess energy over 112 ps on average.
Part 2: Boxed MD Study of CO + OH → CO2 + H Reaction Kinetics | The Journal of Physical Chemistry A
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Third-Body Stabilization of Supercritical CO2 in CO Oxidation: Development and Application of a ReaxFF Force Field for the CO/O/CO2 System
A new ReaxFF force field for the CO/O/CO2 system shows dense supercritical CO2 stabilizes CO2 from CO + O via third-body collisions, dissipating 133.9 kcal/mol excess energy over 112 ps on average.