Reduced Reaction Modeling Eckett

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Reduced Reaction Modeling (Eckett)

• Detailed reaction modeling
• simulations of 1-D pulsating detonations in
  gaseous H2-O2
• grid convergence study
• Reduced reaction modeling - QSSA
• Quasi Steady-State Approximation (QSSA) reduced
  reaction mechanisms implemented in 1-D unsteady
  hydro-code
• compared with detailed kinetics for 1-D
  detonation simulations
• optimization of QSSA reduced mechanism for H2-O2
• Reduced reaction modeling - ILDM
• preliminary implementation of Intrinsic
  Low-Dimensional Manifold (ILDM) reduction
  technique

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Reduced reaction modeling - QSSA

• Stable 1-D detonation in stoichiometric H2-O2
• P0 1 atm, T0 300 K, (D/DCJ)2 1.4
• 100 mesh cells in induction zone

Detailed mechanism
3-step reduced mechanism
3
Reduced reaction modeling - QSSA

• Pulsating 1-D detonation in stoichiometric H2-O2
• P0 1 atm, T0 300 K, (D/DCJ)2 1.3
• 200 mesh cells in induction zone

Detailed mechanism
3-step reduced mechanism
4
Reduced reaction modeling - QSSA

• Pulsating 1-D detonation in stoichiometric H2-O2
• P0 1 atm, T0 300 K, (D/DCJ)2 1.2
• 200 mesh cells in induction zone

Detailed mechanism
3-step reduced mechanism
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Computational efficiency

• Relative computational times for (D/DCJ)2 1.4

• Grid convergence study for (D/DCJ)2 1.3

6
QSSA optimization

• Chapman-Jouget detonations in H2-air
• P0 1 atm, T0 300 K

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Reduced reaction modeling - ILDM

• Intrinsic Low-Dimensional Manifolds (Maas Pope,
  1992) better choice for reduction of large
  mechanisms
• Reduced Mechanisms Workshop, ANL, June 1999

8
Future work

• ILDM code
• finish manifold solver
• write table lookup algorithm
• implement in 0-D combustion code and 1-D unsteady
  hydro-code
• validate against detailed mechanisms for H2 and
  gaseous nitramines (nitromethane, RDX, HMX)
• extend to 2-D and parallel
• 2-D cellular detonation simulations, compare with
  expt.
• Extend to high pressures and solid phase
• Integrate into VTF