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Computationally Efficient, Accurate and Uncertainty Characterized Chemical Kinetics for Hydrocarbon Fuels

Award Information
Agency: Department of Defense
Branch: Air Force
Contract: FA9550-19-C-0011
Agency Tracking Number: F17A-004-0082
Amount: $749,994.00
Phase: Phase II
Program: STTR
Solicitation Topic Code: AF17A-T004
Solicitation Number: 17.A
Solicitation Year: 2017
Award Year: 2019
Award Start Date (Proposal Award Date): 2019-07-01
Award End Date (Contract End Date): 2021-07-01
Small Business Information
701 McMillian Way NW Suite D
Huntsville, AL 35806
United States
DUNS: 185169620
HUBZone Owned: No
Woman Owned: Yes
Socially and Economically Disadvantaged: No
Principal Investigator
 Ragini Acharya
 Senior Principal Scientist
 (256) 726-4800
Business Contact
 Tanu Singhal
Phone: (256) 726-4800
Research Institution
 University of Connecticut
 Tianfeng Lu Tianfeng Lu
Sponsored Program Services 438 Whitney Road Ext., Unit 1133
Storrs, CT 06269
United States

 (860) 486-3942
 Nonprofit College or University

High-pressure turbulent combustion occurs in many combustion devices critical to the Air Force. Notwithstanding significant progress in computational modeling of these devices; several challenges have remained. A fundamental challenge is identification of reaction pathways and reactions in small molecule foundational chemical kinetics requiring improvements under these high-pressure turbulent conditions. During Phase I, this team performed first known sensitivity calculations of the HyChem model at a high-pressure turbulent condition. These analyses were enabled by two-dimensional DNS calculations at high Karlovitz number and high-pressure that identified several reactions showing higher sensitivity to high-pressure turbulent conditions. The team also identified Perfectly Stirred Reactor Network based approach as a reduced-dimensional computational framework to emulate the sensitivities of chemical kinetics under high turbulence. During the Phase II, this framework will be developed for a wider range of high turbulence conditions utilizing limited number of three-dimensional DNS calculations. Sensitivity analyses of the foundational chemistry model will be performed with this framework under a wider range of relevant conditions. Recommendations from these analyses will lead to a limited number of high-pressure shock tube experiments and ab-initio calculations to improve reaction rate constants. Significant efforts will be made to integrate these tools into Air Force workflow.

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

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