TEMPERATURE DEPENDENT ENERGY TRANSFER RECOMBINATION ON SURFACES

Period of Performance: 01/01/1989 - 12/31/1989

$50K

Phase 1 SBIR

Recipient Firm

Chemical Dynamics Corp.
9560 PENNSYLVANIA AVE
Upper Marlboro, MD 20772
Principal Investigator

Abstract

GAS/SUFFACE INTERACTIONS AND RECOMBINATION REACTIONS WHICH ARE THE KEY ELEMENTARY PROCESSES RESPONSIBLE FOR SURFACE HEATING IN HYPERSONIC AEROTHERMODYNAMICS (HA) WILL BE COMPUTATIONALLY EXPLORED. THE INNOVATIVE TECHNOLOGY THAT THE RESEARCH PROPOSED HERE WILL EMPLOY DRAWS FROM THE EMBEDDED ATOM METHOD, THE EMBEDDED DIATOMICS IN MOLECULES METHOD, THE QUASICLASSICAL TRAJECTORY METHOD, MOLECULAR DYNAMICS SIMULATIONS, AND STOCHASTIC HEATBATH MODELLING BASED ON GENERALIZED LANGEVIN EQUATIONS. PHASE I WILL ESTABLISH THE BASIC TECHNICAL FEASIBILITY OF PROVIDING INFORMATION FOR ONE CHOSEN SYSTEM ON THE PARTITIONING OF ENERGY ACCOMMODATION FROM VARIOUS SOURCES, GAS TRANSLATIONAL, GAS INTERNAL, AND CHEMICALLY RELEASED ENERGY DURING REACTION. THIS WILL BE DONE WHILE PROPERLY MODELLING THE EFFECT OF THE RECEIVED ENERGY WITHIN THE CONDENSED PHASE WHICH IS KNOWN TO GO BEYOND SIMPLE HEATING. PHASE II WILL SIGNIFICANTLY ENHANCE THE BODY OF KNOWLEDGE ONVARIOUS SELECTED MATERIALS AND PROCESSES, AND LEAD TO A DISTILLED PHYSICAL PICTURE OF MICROSCOPIC ASPECTS OF THE SURFACE HEATING PROBLEM THAT WILL BE MORE FUNDAMENTALLY BASED.