REACTION KINETICS OF CO AND CH4 MOLECULES WITH O2 IN EXCITED ELECTRONIC STATES: QUANTUM CHEMICAL STUDY

2018 ◽  
Author(s):  
A. S SHARIPOV ◽  
◽  
A. V. PELEVKIN ◽  
Keyword(s):  
Reaction Kinetics ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Electronic States ◽  
Chemical Study ◽  
Excited Electronic States ◽  
Kinetics Of

REACTION KINETICS OF CH4 AND C2H6 WITH O2 IN EXCITED ELECTRONIC STATES: REACTION PATHWAYS AND RATE CONSTANTS

2020 ◽  
Author(s):  
V. A. Pelevkin ◽  
◽  
A. S. Sharipov ◽  
Keyword(s):  
Quantum Chemical Study ◽  
Electronic States ◽  
Chemical Study ◽  
Reaction Pathways ◽  
Fuel Reforming ◽  
Plasma Chemical ◽  
Complete Active Space ◽  
Consistent Field ◽  
Self Consistent Field ◽  
Kinetics Of

Quantum chemical study with the use of the multireference state-averaged complete active space self-consistent field approach was carried out to explore the reactions of CH4 and C2H6 molecules with O2 in different electronic states highly relevant for plasma-assisted combustion and plasma-chemical fuel reforming.

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