Outline: (1) Introduction; (2) Technical challenges in propellant design; (3) Modeling and Simulation (M AND S) techniques AND tools: (a) Quantum chemistry; (b) Molecular dynamics; (c) QSPR; (d) High Performance Computing (HPC); (4) Examples: (a) Identification of suitable target compounds; (b) Determination of viable intermediates; (c) Confirmation of successful synthesis; (5) Summary and Conclusions.
Materials Modeling for Rocket Propulsion
2005
23 pages
Report
Keine Angabe
Englisch
Rocket Engines & Motors , Rocket Propellants , Simulation , Models , Materials , Rocket propulsion , Rocket propellants , Quantitative analysis , Quantum chemistry , Computer programming , Synthesis(Chemistry) , Energetic properties , Chemical compounds , Molecular dynamics , M and s(Modeling and simulation) , Briefing charts , Qspr(Quantitative structure-property relationship) , Hpc(High performance computing)
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