Theoretical and Computational Studies of Elementary Reactions Important in Combustion and of Combustion inSupercritical Fluids

Abstract

(1) use quantum chemistry computation to obtain key reaction rate constants to support the development of reaction model for small HC oxidation(2) use quantum chemistry computation to explore physical behavior and chemical reaction pathways of HC fuel molecules near critical conditions

Document Details

Document Type
DoD Grant Award
Publication Date
Feb 06, 2017
Source ID
FA95501710119

Entities

People

  • William L Hase

Organizations

  • Air Force Office of Scientific Research
  • Texas Tech University System
  • United States Air Force

Tags

Fields of Study

  • Chemistry

Readers

  • Computational Fluid Dynamics (CFD)
  • Military Engineering.
  • Molecular Photonics/Laser Physics

Technology Areas

  • Quantum Computing