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Model-Free Prediction of Chemical Reaction Rate Constants

Award Information
Agency: Department of Defense
Branch: Missile Defense Agency
Contract: W9113M-05-C-0040
Agency Tracking Number: 044-1060
Amount: $100,000.00
Phase: Phase I
Program: SBIR
Solicitation Topic Code: MDA04-153
Solicitation Number: 2004.4
Timeline
Solicitation Year: 2004
Award Year: 2005
Award Start Date (Proposal Award Date): 2005-02-16
Award End Date (Contract End Date): 2005-08-15
Small Business Information
12345 W. 52nd Ave.
Wheat Ridge, CO 80033
United States
DUNS: 181947730
HUBZone Owned: No
Woman Owned: No
Socially and Economically Disadvantaged: No
Principal Investigator
 Ronald Cook
 Principal Scientist
 (303) 940-2302
 cookrl@tda.com
Business Contact
 John Wright
Title: Vice President
Phone: (303) 940-2300
Email: jdwright@tda.com
Research Institution
N/A
Abstract

The national missile defense system is based on early warning satellites, early warning radars, command centers, and the actual interceptors. The satellites will infrared sensors to "detect" the IR plumes from a missile's booster and determine its approximate trajectory as well as track the missiles throughout their flight. The codes used to generate rocket plume exhausts combine both fluid dynamics as well as chemical mechanisms and reaction models to arrive at the plume signatures. Unfortunately, the chemical mechanisms and reaction models are not yet developed enough to be used to understand and predict the processes of afterburning and afterburning shutdown that are necessary for accurate plume signature generation. Furthermore, the chemical mechanisms and reactions involved in afterburning and afterburning shutdown occur in a regime that is difficult to study in a laboratory. Therefore there is a need to develop innovative computational tools that can generate the chemical reaction rate constants that are needed to predict the plume signatures associated with missile operations at the lower altitudes where afterburning and afterburning shutdown occur. TDA Research, Inc. proposes to develop an innovative model-free algorithmic approach to predict chemical reaction rate constants using molecular descriptors calculated from the elementary reaction mechanisms.

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

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