Reacting Flow Modeling in STAR-CCM+ Rajesh Rawat

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1 Reacting Flow Modeling in STAR-CCM+ Rajesh Rawat

2 Latest Additions (v 7.02/v 7.04) Eulerian Multi-phase Reaction Model Soot Model Moment Methods PPDF Flamelet Multi-stream model Complex Chemistry Model (DARS-CFD) EDC (additional modifications) Dynamic Load Balancing ISAT Further enhancements and testing for LES Best Practices for LES Misc Non-transported Passive Scalars Permeable fixed flux or fixed species Boundary Conditions

3 Lagrangian Multiphase Capabilites Particle radiation Multi-component droplet evaporation General Particle Reactions erosion models Injector Models Part, Point, Hollow Cone and Surface Injectors Primary Atomization Model Pressure Swirl Injector (Lisa model) Secondary Breakup Model KHRT Reitz-Diwakar TAB Origin Axis Inner Angle Outer Angle

4 Particle Reaction Model Particle Reaction Model is available through Lagrangian Multiphase framework of STAR-CCM+ Two Reaction Models are available: Particle Devolatilization and Particle Combustion Can simulate Particle Devolatilization, Sublimation, Melting Particle Combustion, Oxidation, Pyrolysis

5 Particle Combustion In particle combustion modeling, a solid particle reacts with a gas-phase species to form solid and/or gas-phase products Three different methods are available for specifying the reaction rates: First Order Combined Rate Half Order Combined Rate User-Defined Rate The combined rate considers gas-species diffusion to the particle. The Diffusion Coefficient can be specified by the user as scalar profile.

6 Example Reactions Particle Devolatilization Model -- CaCO 3 CaO + CO 2 Particle Combustion Model -- 2Ca (s) + O 2 (g) 2CaO (s) -- NaOH (s) + HF (g) NaF (s) + H 2 O (g) -- Fe 2 O 3 (s) + 3H 2 (g) 2Fe (s) + 3H 2 O

7 LES All Yplus treatment Second order implicit time differencing Both CD and BCD Non-reflecting boundary condition Synthetic turbulence for inflow BC Reacting Flow Thickened Flame Model Algebraic Variance and SDR 7

8 Sandia D Flame Mesh count: 4.1 M Polyhedrals in the vicinity of inlet Extruded Polyhedrals elsewhere Volumetric control in the flame region Approximately 0.18 mm of mesh size in radial direction

9 Temperature Instantaneous & Mean

10 Movie - Temperature

11 Comparison with Experiment Centerline Axial Velocity RMS Axial Vel Mean Axial Vel

12 Comparison with Experiment Centerline Mixture Fr

13 LES Best Practices

14 Library Based Models PVM/Flamelet Library H298 Source Term Premixed Flame (CFM) Emissions source terms (Nox/soot) Transport Equations Properties STAR-CCM+

15 The progress variable model A precomputed table is used to store the effects of detailed chemistry on combustion: selected species, source term to chemical enthalpy, mixture NASA polynomials, and molecular weight The combustion state is described using a progress variable based on chemical enthalpy h298 is the chemical enthalpy for the mixture, while h298 c=0 and h298 c=1 are the chemical enthalpies at the initial conditions and equilibrium state, respectively. 15

16 Premixed Gas Turbine PVM DARS-CFD with GRI-Mech

17 Temperature Comparison

18 Soot Model Validation

19 Centerline Temperature Profile

20 Centerline Soot Profile

21 Radial Profiles for Soot (x = 0.347)

22 Soot Distributions

23 Multi-Stream PPDF

24 Temperature & Lagrangian Tracking

25 Complex Chemistry Can read Chemkin format and no limit on number of species Online tabulation using ISAT is available Factor of 2-5 speedup is commonly observed Dynamic load balancing is available to achieve scalability for chemistry calculation with large number of processors. DARS-Basic provides tool to reduce the chemistry that can be imported in STAR-CCM+ for further speedup for complex chemistry calculations.

26 Dynamic Load Balancing Same non-premixed flame but with more detailed mechanism with 53 species tested for transient run Presented: complex chemistry CPU time after 200 iterations Hrs Transient run with load balancing Time (hours) Hrs 8p 16p 32p Hrs 20 0 Dynamic balancing Transient run

27 The EDC model The total space is divided into two zones Fine structures All the chemical reactions takes place Represents the smallest turbulence scales Bulk structure No reactions occur The sub-grid chemistry scales don't need to be resolved at a cell level. 27

28 Fine structures Governing equations for the species and enthalpy *: quantities in the fine structure <>: the cell mean values. The residence time: how long the species remain in the fine structures Mass fraction of fine structures in the cell: 28

29 Temperature Profiles

30 CH4 Profiles

31 SCR Flow Direction is from left to right Solid Cone Spray with 70 o, not much turbulent dispersion Thermolysis consumes Urea quite rapidly Conversion Efficiency & Uniformity Index of NH3 and H2O can be deduced from this analysis. This can help optimize injection strategy for UWS upstream of SCR system.

32 Results NOx Reduction Comparison Two-Step Model Detailed Surface Chemistry

33 Conclusions Eulerian Multi-Phase with Reactions LES effective but expensive Finite-rate kinetics Library-based Direct chemistry coupling Speedup Load balancing Clustering ISAT

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