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

Award Information
Agency: Department of Defense
Branch: Navy
Contract: N68335-10-C-0534
Agency Tracking Number: N09A-011-0225
Amount: $749,913.00
Phase: Phase II
Program: STTR
Awards Year: 2010
Solitcitation Year: 2009
Solitcitation Topic Code: N09-T011
Solitcitation Number: 2009.A
Small Business Information
Aerodyne Research, Inc.
45 Manning Road, Billerica, MA, -
Duns: 030817290
Hubzone Owned: N
Woman Owned: N
Socially and Economically Disadvantaged: N
Principal Investigator
 Oluwayemisi Oluwole
 Sr. Chemical Engineer
 (978) 932-0270
 oluwoleo@aerodyne.com
Business Contact
 George Wittreich
Title: Executive Vice President
Phone: (978) 932-0215
Email: gnw@aerodyne.com
Research Institution
 M.I.T.
 Chanell 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 extend their successful Phase I effort to fully develop and validate a comprehensive JP-10 combustion mechanism, using a novel automatic reaction mechanism generation tool (RMG) developed at MIT. JP-10 is a very attractive, but complex fuel whose combustion chemistry is poorly understood. In Phase I, the ARI/MIT team successfully developed a preliminary detailed JP-10 combustion mechanism consisting of 317 chemical species and 7,715 elementary reactions; after considering over 25,000 possible species and more than 1 million possible reactions. The Phase I mechanism accurately reproduces available experimental data and provides (to our knowledge) the first detailed insight into JP-10 combustion chemistry, particularly its initial decomposition to C5 hydrocarbons. Phase II efforts will involve generating additional experimental data at new reaction conditions using a combination of available capabilities (shock-tubes, flow tube reactor, GC/MS, PTR-MS, etc.) in order to validate (and update as necessary) the Phase I JP-10 mechanism for a wider range of conditions relevant to anticipated JP-10 applications. Transport properties will be provided for all species. Phase II option will involve constructing reduced models for CFD applications, refining transport properties and investigating the valid range limits of the final JP-10 combustion mechanism.

* information listed above is at the time of submission.

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