Accession Number : AD1034729


Title :   Ab initio Quantum Chemical and Experimental Reaction Kinetics Studies in the Combustion of Bipropellants


Descriptive Note : Technical Report,01 Mar 2017,31 Mar 2017


Corporate Author : Air Force Research Laboratory (AFMC) AFRL/RQRS Edwards AFB United States


Personal Author(s) : Vaghjiani,Ghanshyam


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/1034729.pdf


Report Date : 24 Mar 2017


Pagination or Media Count : 30


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.


Descriptors :   chemical kinetics , chemical reaction properties , combustion , BIPROPELLANTS , test facilities , OXIDATION , decomposition


Subject Categories : Liquid Rocket Propellants
      Combustion and Ignition


Distribution Statement : APPROVED FOR PUBLIC RELEASE