Low-Altitude Plume Chemistry Signature Modeling

Award Information
Agency: Department of Defense
Branch: Missile Defense Agency
Contract: W9113M-05-C-0123
Agency Tracking Number: 044-0709
Amount: $99,921.00
Phase: Phase I
Program: SBIR
Awards Year: 2005
Solicitation Year: 2004
Solicitation Topic Code: MDA04-153
Solicitation Number: 2004.4
Small Business Information
4 Amy Drive, East Windsor, NJ, 08520
DUNS: 152714051
HUBZone Owned: N
Woman Owned: Y
Socially and Economically Disadvantaged: N
Principal Investigator
 Harold Pergament
 (609) 490-5515
Business Contact
 Harold Pergament
Title: President
Phone: (609) 490-5515
Email: hal@propulsionscience.com
Research Institution
The inability of current plume signature codes to accurately predict the altitude in the afterburning region at which the peak signature occurs and the rate of signature decay with altitude ("afterburning shutdown") is the subject of this solicitation. A more accurate description of afterburning plume chemistry is needed, particularly for hydrocsrbon-fueled systems. The issue is that either the chemical kinetic mechanism is not known or the important reaction rate constants have not been measured in the laboratory. Accordingly, the use of computational chemistry codes which can calculate reaction rate constants from first principles is required. In order to implement the first principles quantum mechanical approach the 3D molecular structure of the species, as well as the transition state structures of the reactions must be obtained. These must be input to a quantum chemistry package for calculating potential energy surface information. Current computational chemistry codes that will be investigated include POLYRATE and TheRate. This work will demonstrate the use of these codes to calculate reaction rate constants as a function of temperature for a reaction of importance to plume afterburning chemistry.

* Information listed above is at the time of submission. *

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