Ab initio Quantum Chemical and Experimental Reaction Kinetics Studies in the Combustion of Bipropellants
Technical Report,01 Mar 2017,31 Mar 2017
Air Force Research Laboratory (AFMC) AFRL/RQRS Edwards AFB United States
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Ab initio quantum chemical QC approaches are increasingly being used as cost effective means for the accurate determination of reaction kinetics data to model the chemical behavior of many practical combustion processes. QC computations are particularly useful when experimental reaction kinetics data is unobtainable because of the physical limitations in probing the system of interest which may often be under the extreme conditions of high temperatures and pressures. On the other hand when experimental data is available, complementary QC calculations can be used to either validate the observations or provide evidence to take caution when interpreting the experimental measurements.
- Liquid Rocket Propellants
- Combustion and Ignition