Ab initio Quantum Chemical and Experimental Reaction Kinetics Studies in the Combustion of Bipropellants
Abstract
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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 24, 2017
- Accession Number
- AD1034729
Entities
People
- Ghanshyam L Vaghjiani
Organizations
- Air Force Research Laboratory