LogoLogo
  • 1. GASFLOW Code
    • 1.1. Overview
    • 1.2. Code Approach
    • 1.3. Code Features
    • 1.4. Graphical User Interface
    • 1.5. Code V&V
    • 1.6. Application Highlights
    • 1.7. Publications
    • 1.8. Current Activities
  • 2. Tutorials
    • 2.1. Overview
    • 2.2. Sod's Shock Tube Problem
    • 2.3. Mesh Generation from CAD Models
    • 2.4. 2D Lid-driven Cavity Flow
    • 2.5. Hydrogen Diffusion into Air in a 1D Duct
    • 2.6. Supersonic Flow over a Forward-facing Step
    • 2.7. Vented Explosion of Premixed Hydrogen-Air Mixtures
    • 2.8. Transient Laminar Jet Flow at Low Mach Number Regime
  • 3. Brief User Guide
    • 3.1. Overview
    • 3.2. General User Guidance
    • 3.3. Unit System and Files
    • 3.4. Mesh Generation
    • 3.5. Geometry Definition
    • 3.6. Numerical Control
    • 3.7. Gas Species and Properties
    • 3.8. Initial and Boundary Conditions
    • 3.9. Solid Heat Structures
    • 3.10. Physical Models
    • 3.11. Restart and Output
    • 3.12. GASFLOW Parallelization
  • 4. Pre- and Post-Processing Tools
    • 4.1. GASVIEW
    • 4.2. Pyscan
    • 4.3. Create3D
  • 5. Verification and Validation
    • 5.1.Overview
    • 5.2. Fluid Dynamics
      • [AS-FD 1] Steady-State and Laminar Flow Startup
      • [AS-FD 2] Transient Compressible Flow
      • [AS-FD 3] Diffusion of Hydrogen into Air
      • [AS-FD 4] Flow past a Rectangular Block
      • [AS-FD 5] 1D Flow with an Orifice
      • [ED-FD 1] Incompressible Laminar Flow in a Lid-driven Cavity
      • [ED-FD 2] Stationary Turbulent Channel Flow
      • [ED-FD 3] Turbulent Flow between Two Parallel Plates
      • [ED-FD 4] Flow over Backward-Facing Step
      • [ED-FD 5] Transient Supersonic Flow at Mach 3 over a Forward-facing Step
      • [ED-FD 6] Large Eddy Simulations of the Turbulent Jet Flow
      • [ED-FD-7] Hydrogen Turbulent Dispersion in Nuclear Containment Compartment
      • [ED-FD 8] Buoyant Jet from Unintended Hydrogen Release
      • [ED-FD 9] Radiolytic Gas Accumulation in a Pipe
      • [ED-FD 10] Supersonic Flow at Mach 2 over a Backward Facing Step
    • 5.3. Combustion
      • [ED-CM 1] BOM Spherical Combustion Chamber
      • [ED-CM 2] SNL Flame Acceleration Measurement Facility Experiment
      • [ED-CM 3] Hydrogen Deflagration in a Multi-compartment System
      • [ED-CM 4] Hydrogen Jet Fire in a Compartment with Venting Hole
      • [ED-CM 5] Hydrogen-Air Fast Deflagration in ENACCEF Facility
      • [ED-CM 6] Detonation of Premixed H2-Air Mixture in a Hemispherical Balloon
      • [ED-CM 7] H2 Deflagration at a Refueling Station
      • [ED-CM 8] Methane-Air Explosion in LLEM
      • [ED-CM 9] Hydrogen-Methane Combution in a 20 L Spherical Vessel
    • 5.4. Heat and Mass Transfer
      • [AS-HT 1] Steady-State Heat Transfer through a Wall
      • [AS-HT 2] Pressure-Volume Work Term 1: Equilibrium Case
      • [AS-HT 3] Thermodynamic Benchmarks
      • [AS-HT 4] Uniform Energy Addition to Stagnant Fluid
      • [ED-HT 1] Natural Convection in an Air-filled Square Cavity
      • [ED-HT 2] Validation of the condensation model with COPAIN facility
      • [ED-HT 3] Heat and mass transfer of a thin film model in a channel
      • [ED-HT 4] Validation of the Film Model in the Integral Test Facility for Passive Containment Cooling
      • [ED-HT 5] Stratification Erosion Benchmark
      • [ED-HT 6] Battelle Containment HYJET Test JX7
      • [ED-HT 7] Battelle GX Tests
      • [ED-HT 8] Tests in ThAI Facility
      • [ED-HT 9] HDR Tests
      • [ED-HT 10] Phebus Thermal Hydraulic Tests
      • [ED-HT 11] Test Tosqan ISP47
      • [ED-HT 12] Test MISTRA ISP47
      • [ED-HT 13] Panda SETH Test Program
    • 5.5. Multiphase Flow
      • [AS-MP 1] Particle Terminal Velocity
      • [AS-MP 2] Water droplet evaporation
      • [ED-MP 1] Spray Single Droplet Test
      • [ED-MP 2] Spray Droplets Test 113 at IRSN TOSQAN
      • [ED-MP 3] Spray Droplets Test 101 at IRSN TOSQAN
  • 6. APPLICATION HIGHLIGHTS
    • 6.1. H2 Fuel Cell Vehicle Accident in Tunnel
    • 6.2. Hydrogen Explosion in a Refueling Station
    • 6.3. Hydrogen Explosion at Fukushima Accident
    • 6.4. Methane Explosion in the Roadway of a Coal Mine
    • 6.5. Aerosols and Droplets
      • 6.5.1. Coronavirus Aerosol Transmission
      • 6.5.2. Water Droplets
  • 7. Ongoing Development and Enhancements
    • 7.1. Combustion Modeling
      • 7.1.1. Multi-step Global Methane Combustion Models
        • 7.1.1.1. One-step Reaction Mechanism
        • 7.1.1.2. Two-step Reaction Mechanism
        • 7.1.1.3. Three-step Reaction Mechanism
        • 7.1.1.4. Four-step Reaction Mechanism
        • 7.1.1.5. Five-step Reaction Mechanism
        • 7.1.1.6. FAQ
      • 7.1.2. Laminar Flame Speed Correlations for Methane-air Mixtures
        • 7.1.2.1. Stone's Correlation
        • 7.1.2.2. Elia's Correlation
        • 7.1.2.3. Takizawa's Correlation
        • 7.1.2.4. Liao's Correlation
      • 7.1.3. Turbulent Flame Speed Correlations for Methane-air Mixtures
      • 7.1.4. Correction of Effective Turbulent Burning Velocity for Lean Hydrogen-air Mixtures
      • 7.1.5. Induction Time Model
      • 7.1.6. Detailed Chemical Kinetic Modeling
      • 7.1.7. Jet Flame Modeling
    • 7.2. Discrete Particle Modeling
      • 7.2.1. Particle mass in user-defined volumes - volpardef
      • 7.2.2. Particle injection from ring shaped volumes
    • 7.3. Heat Transfer Modeling
      • 7.3.1. Time-dependent tables for heat flux and heat transfer coefficient in sinkdef
      • 7.3.2. Thermal Radiation Model for Water Vapor and Carbon Dioxide
  • 8. INPUT FILE EXAMPLES
    • 8.1. Overview
    • 8.1. Fluid Dynamics
  • 8.2. Combustion
  • 8.3. Heat Transfer
  • 8.4. Multiphase Flow
  • 8.5. Applications
  • 9. Frequently Asked Questions
    • 9.1. How to set up models for the flashing of pressurized water?
  • 9.2. How to run GASFLOW on Windows?
  • 9.3. How to export/import WSL distribution?
Powered by GitBook
On this page
  • 1.8.1. Detailed Chemical Kinetics
  • 1.8.2. Large-Scale Jet Flame

Was this helpful?

  1. 1. GASFLOW Code

1.8. Current Activities

Ongoing Development and Enhancements

Previous1.7. PublicationsNext2.1. Overview

Last updated 2 months ago

Was this helpful?

1.8.1. Detailed Chemical Kinetics

The primary goal is to enhance GASFLOW-MPI's chemical kinetics modeling capabilities by enabling the direct import of user-specified reaction mechanisms in the widely-used CHEMKIN format. This will greatly simplify the process of incorporating custom or specialized chemical kinetics data, allowing users to leverage the extensive collection of detailed reaction mechanisms available in the scientific literature. The seamless integration of CHEMKIN-compatible inputs will expand the modeling capabilities of GASFLOW-MPI, making it a more versatile and powerful tool for researchers and engineers working in areas related to reactive flow simulations.

GASFLOW-MPI utilizes the TChem toolkit to parse CHEMKIN data files, calculate the right-hand side function and its Jacobian for a system of reaction ordinary differential equations (ODEs) through each fluid cell. The system is then solved using the ODE solvers in PETSc (Portable, Extensible Toolkit for Scientific Computation). PETSc is also used to manage communication between the algebraic structures, such as vectors and matrix, and mesh data structures in parallel computing of the fluid dynamics.

For more details, please refer to the following resources.

1.8.2. Large-Scale Jet Flame

The GASFLOW-MPI development team is working to enhance the software's turbulence and combustion modeling capabilities to more accurately simulate large-scale jet flames in industrial applications.

Turbulence Model Improvements:

The turbulence models are being evaluated and updated to better capture the complex turbulent flow phenomena observed in large-scale jet flames. This includes:

  • Evaluating the performance of turbulence models, such as Reynolds-averaged Navier–Stokes Models (RANS) or Large Eddy Simulation (LES) approaches, to improve the prediction of turbulent mixing and flow structures.

  • Optimizing the numerical implementation and computational efficiency of the turbulence models to enable their practical application to large-scale industrial simulations.

Combustion Model Enhancements:

In parallel, the combustion modeling capabilities in GASFLOW-MPI are being enhanced to better capture the complex chemical kinetics and turbulence-chemistry interactions in large-scale jet flames. Key focus areas include:

  • Implementing turbulence-chemistry interaction models to better represent the influence of turbulence on reaction rates for practical industrial applications. This includes coupling the Eddy Dissipation Model (EDM) with global finite-rate chemical kinetic models, which can capture the effects of turbulent mixing on the overall combustion process.

  • Implementing advanced turbulence-chemistry interaction models, such as the Eddy Dissipation Concept (EDC), which can be coupled with detailed chemical kinetics mechanisms. This capability allows for more accurate representation of coupling of turbulence and detailed chemistry.

  • Improving the integration between the fluid dynamics, convective and radiative heat transfer, and chemical kinetics calculations to better model the multi-physics phenomena observed in large-scale industrial jet flame configurations.

7.1.6. Detailed Chemical Kinetic Modeling