Characterizing JP-10 High Temperature Decomposition Chemistry using RMG - An Automatic Reaction Mechanism Generator

Award Information
Agency: Department of Defense
Branch: Navy
Contract: N68335-09-C-0367
Agency Tracking Number: N09A-011-0225
Amount: $70,000.00
Phase: Phase I
Program: STTR
Awards Year: 2009
Solicitation Year: 2009
Solicitation Topic Code: N09-T011
Solicitation Number: 2009.A
Small Business Information
45 Manning Road, Billerica, MA, 01821
DUNS: 030817290
HUBZone Owned: N
Woman Owned: N
Socially and Economically Disadvantaged: N
Principal Investigator
 Oluwayemisi Oluwole
 Senior Chemical Engineer
 (978) 663-9500
 oluwoleo@aerodyne.com
Business Contact
 George Wittreich
Title: Executive Vice President
Phone: (978) 663-9500
Email: gnw@aerodyne.com
Research Institution
 MIT
 Chanell L Rome
 77 Massachusetts Avenue
Building E19-750
Cambridge, MA, 02139-4307
 (617) 324-9012
 Nonprofit college or university
Abstract
Aerodyne Research, Inc. (ARI) and MIT are collaborating to establish the feasibility of fully characterizing the complex chemistry of JP-10 high temperature decomposition, in the presence of oxygen, using a novel automatic reaction mechanism generation tool (RMG) developed at MIT. JP-10 is a very attractive fuel for missile and other air-breathing propulsion applications due to its high energy density. However, JP-10 chemistry remains only partially understood, limiting its successful adoption for these applications. Currently, the biggest gap in published literature is in the chemistry of JP-10 initial decomposition to C5 hydrocarbons, in the presence of oxygen. In Phase I, the ARI/MIT team will apply RMG to develop a detailed reaction mechanism for these initial JP-10 decomposition steps. Our approach bypasses the tedious and error-prone manual model construction processes, enabling us to obtain a more comprehensive reaction mechanism in a more efficient way. Transport properties will also be provided, using group additivity concepts. Phase I results will set the foundation for Phase II when the complete, comprehensive reaction mechanism of JP-10 high temperature decomposition will be established and extensively validated through shock tube experiments. Phase I option will bridge the gap, beginning to explore further decomposition of the C5 species.

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

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