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Fluent Software Training Combustion Apr 2005
Advanced Combustion Modeling in FLUENT
1 / 26
© Fluent Inc. 6/23/2005
Fluent User Services Center www.fluentusers.com
Fluent Software Training Combustion Apr 2005
Course Agenda 8:00- 8:30 8:30-10:00 10:00-11:00 11:00-12:00 12:00-1:00 1:00-1:45 1:45-2:30
2:30-3:00
3:00-5:00
Introduction to Combustion Modeling Combustion Models I Hands-on Exercise Session I Combustion Models II Lunch Additional Physical Models – Discrete Phase Modeling and Spray Models Additional Physical Models – Radiation Modeling – Pollutant Modeling Combustion Modeling – Case Studies – Strategies Hands-on Exercise Session II 2 / 26
© Fluent Inc. 6/23/2005
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Fluent Software Training Combustion Apr 2005
Introduction to Combustion Modeling
Applications of Combustion Modeling
Overview of Capabilities in FLUENT 6
Meshes for Combustion Simulations
Kinetics and Turbulence-Chemistry Interaction
Scaling Analysis
3 / 26
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Applications of Combustion Modeling
Wide range of homogeneous and heterogeneous reacting flows: z z z z z
Furnaces Boilers Process heaters Gas turbines Rocket engines
Temperature in a Gas Furnace
Predictions of: z
z z z
CO2 Mass Fraction
Flow field and mixing characteristics Temperature field Species concentrations Particulates and pollutants
Stream Function 4 / 26
© Fluent Inc. 6/23/2005
Fluent User Services Center www.fluentusers.com
Fluent Software Training Combustion Apr 2005
Overview of Combustion Modeling
FLUENT 6 provides an extensive array of physical models for combustion simulations. Zone-based definition of volumetric and surface reaction mechanisms z z
Reactions can be turned off/on in different fluid zones Allow different reaction mechanisms in different zones
FLUENT 6 provides maximum mesh flexibility, and GAMBIT 2 makes it easy to generate hybrid meshes.
Additional distinctive capabilities include: z z z z z z
Materials database Robust and accurate solver Solution-adaptive mesh refinement (conformal and hanging-node) Industry-leading parallel performance User-friendly GUI, post-processing and reporting Highly customizable through user defined functions
5 / 26
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Aspects of Reaction Modeling Reaction Models Dispersed Phase Models Droplet/particle dynamics Heterogeneous reaction Devolatilization Evaporation
Infinitely Fast Chemistry Finite Rate Chemistry
Combustion
Governing Transport Equations Mass Momentum (turbulence) Energy Chemical Species
Premixed, Partially premixed and Non-premixed
Surface Reactions
Radiative Heat Transfer Models
Pollutant Models
6 / 26
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Reaction Models in Fluent Flow config.
Premixed Combustion
Non-Premixed Combustion
Partially Premixed Combustion
Premixed Combustion Model (Reaction Progress Variable)*
Non-Premixed Equilibrium Model (Mixture Fraction)
Partially Premixed Model
Chemistry
Infinitely Fast Chemistry
(Reaction Progress Variable + Mixture Fraction)
Eddy Dissipation Model Non-Premixed Laminar Flamelet Model
Finite-Rate Chemistry
Laminar Finite-Rate Model Eddy-Dissipation Concept (EDC) Model Composition PDF transport Model * Rate classification not truly applicable since species mass fraction is not determined. 7 / 26
© Fluent Inc. 6/23/2005
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Fluent Software Training Combustion Apr 2005
Other Models in FLUENT 6
Surface Combustion Discrete phase model z
Turbulent particle dispersion
z
Stochastic tracking Particle cloud model
Pulverized coal and spray models
Radiation models: DTRM, P-1, Rosseland, S2S and Discrete Ordinates Turbulence models: k-ε, RNG k-ε, Realizable k-ε, κ−ω, RSM and LES and DES Pollutant models: NOx with reburn chemistry and soot
8 / 26
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Fluent User Services Center www.fluentusers.com
Fluent Software Training Combustion Apr 2005
Meshes for Combustion Simulations
For convergence and accuracy, a quality mesh is critical ... z z z z z
Low skew (<0.9 everywhere) Moderate aspect ratios (<10) Sufficient but not excessive resolution Gradual cell volume changes (<30%) Orthogonality at boundaries
In FLUENT 6, unstructured mesh technology allows ... z z z
Complex geometries GAMBIT provides rapid and powerful unstructured mesh generation Local resolution of flow features
Hybrid mesh (hexes, tets, prisms, pyramids) Hanging node adaption Non-conformal interfaces
9 / 26
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Complicated Geometry-Tetrahedral Mesh
Burner has several complicated parts Flow is not aligned in any particular direction High gradients at sonic inlets Use a tetrahedral mesh
10 / 26
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Complicated Geometry-Tetrahedral Mesh
Tetrahedral mesh allows for a fine mesh on the small inlet holes with larger cells in the furnace domain.
11 / 26
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Hybrid Mesh - Boiler
Conical section at bottom favors a tetrahedral mesh Heat exchanger plates at top are suited for a hex mesh Prisms can be extruded off the triangular surface at the corner inlet planes to model the windbox - get better jet penetration
hexes pyramids tets
12 / 26
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Semi-Automatic Hex/Hybrid Meshing
Typical Burner
Nuclear Reactor Head 13 / 26
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FLUENT 6: Arbitrary Mesh Interfaces
Mesh flexibility, parts-based meshing and model building
14 / 26
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Mesh Adaption
Dynamic hanging node adaption to resolve temperature gradients more accurately.
300 kW BERL Combustor
15 / 26
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Gas Phase Combustion
Spatio-temporal conservation equations (Navier-Stokes) for z Mass (ρ) z Momentum (ρυ) z Energy (ρh) z Chemical Species (ρYk) The conservation equations have the general form … ∂ (φ) + ∂ (φ ui ) = ∂ Dφ ∂φ + Sφ ∂xi ∂xi ∂xi ∂t rate of change
convection
diffusion
source
It is useful to quantify energy in terms of enthalpy, defined as ….
h=
∑
species
T
Yk ( h + ∫ cpk dT) o k
chemical 16 / 26
To
thermal © Fluent Inc. 6/23/2005
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Chemical Kinetics
The k th species mass fraction transport equation is: ∂ (ρ Yk ) + ∂t
∂ (ρ u i Yk ) = ∂x i
∂ Yk ρ D k ∂x i
∂ ∂x i
+
Rk
Nomenclature: chemical species, denoted Sk , react as: N
∑ ν' k =1
Example:
k
Sk →
N
∑ ν" k =1
k
Sk
CH 4 + 2O 2 → CO 2 + 2H 2 O
S1 = CH 4
S2 = O 2
S3 = CO 2
S4 = H 2 O
ν'1 = 1 ν"1 = 0
ν '2 = 2 ν"2 = 0
ν'3 = 0 ν"3 = 1
ν '4 = 0 ν"4 = 2
17 / 26
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Chemical Kinetics
The calculated reaction rate is proportional to the products of the reactant concentrations raised to the power of their respective stoichiometric coefficients. k th species reaction rate (for a single reaction): E − N ν '*k β RT ∏ Cj R k = M k ( ν " k − ν ' k ) AT e j =1 where
A = pre-exponential factor Cj = molar concentration = ρ Yj / Mj Mk = molecular weight of species k E = activation energy R = universal gas constant = 8313 J / kgmol K β = temperature exponent
Note that for global reactions, ν ' k* ≠ ν ' k , and may be noninteger 18 / 26
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Practical Combustion Processes are Turbulent Flames Gas turbine combustor Fire
Length scale (m) 0.1
Velocity Reynolds scale (m/s) number 50 250,000
5
2
500,000
After-burner
0.5
100
2,500,000
Utility Furnace
10
10
5,000,000
Smallest length scale in turbulent flow (called the Kolmogorov scale) η ∼ L / Re3/4, where L is the combustor characteristic dimension Number of grid points required for Direct Numerical Simulation (DNS) 3 9/4 (resolving all flow scales) ~ (L/ η) = Re
Example: Re ~ 10 4, number of grid points ~ 10 9
DNS is computationally intractable, and will remain so indefinitely 19 / 26
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Necessity for Combustion Modeling
Governing reacting Navier-Stokes equations are accurate, but DNS is prohibitive ... Turbulence z z
Large range of time and length scales Model by time (Reynolds) averaging
Imagine a long exposure photograph of the visualized flow Introduces terms (the Reynolds stresses) which must be modeled
Chemistry z
Realistic chemical mechanisms have tens of species, hundreds of reactions, and stiff kinetics (widely disparate time scales)
Determined for a limited number of fuels
20 / 26
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Reynolds (Time) Averaged Species Equation
(
∂ ∂ (ρ u i Yk ) + ∂ ρ u "i Y "k (ρ Yk ) + ∂x i ∂x i ∂t {unsteady term} (zero for steady flows)
convection by mean velocity
)
=
convection by turbulent velocity fluctuations
∂ ∂x i
∂ Yk ρ D k + R k ∂x i
molecular diffusion
mean chemical source term
Yk , Dk , Rk are the k th species mass fraction, diffusion coefficient and
chemical source term respectively
Turbulent flux term modeled by mean gradient diffusion as, ρ u" i Y" k = µ t /Sc t ⋅ ∂ Yk /∂ xi , which is consistent in the k-ε context Gas phase combustion modeling focuses on Rk z
Arguably more difficult to model than the Reynolds stresses (turbulence) 21 / 26
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Turbulence Chemistry Coupling in Flames
Arrhenius reaction rate terms are highly nonlinear
Rk = AT β ∏ C j j exp (− E RT ) ν
j
Cannot neglect the effects of turbulence fluctuations on chemical production rates
Rk ≠ Rk ( T )
22 / 26
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Turbulence-Chemistry Interaction Demonstration: single step methane reaction (A=2*1011, E=2*108) CH 4 + 2O 2 → CO 2 + 2H 2 O R CH 4 =
1
2
R O 2 = − R CO 2 = − 1 2 R H 2O = − A exp( − E / RT ) [CH 4 ]0.2 [O 2 ]0.3
Assume turbulent fluid at a point has constant species concentration at all times, but spends one third its time at T=300K, T=1000K and T=1700K 1700 1000 300
T P(T)
time trace
PDF
t
T [K] R [kgm-3s-1]
300 10-25
1000 1
300 1000 1700
1700 105
23 / 26
T
R (T ) = 1 kg ⋅ m −3 s −1 R = 3 ⋅10 4 kg ⋅ m −3 s −1
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Modeling Chemical Kinetics in Combustion Practical Approaches: Reduced chemical mechanisms z
Finite rate/Eddy Dissipation model
Decouple chemistry from turbulent flow and mixing z
z
z
Mixture fraction approaches Equilibrium chemistry PDF model Laminar flamelet model Progress variable Zimont model Mixture fraction and progress variable Partially premixed combustion model
24 / 26
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Scaling Analysis
Reynolds number ρUL inertial force ~ Re = µ viscous force
ρ, U, L, µ are characteristic (e.g. inlet) density, velocity, length and dynamic viscosity, respectively Turbulence models valid at high Re
Damkohler Number Da =
L/U k/ε mixing time scale ~ ~ ρ ad / R slow ρ ad / R slow chemical time scale
ρ ad adiabatic flame density Rslow slowest reaction rate at Tad and stoichiometric concentrations
Gas phase turbulent combustion models valid at high Da 25 / 26
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Scaling Analysis
Mach number Ma =
U convection speed ~ c acoustic speed
Mixture fraction model valid at Ma < 0.3 (incompressible)
Boltzman number Bo =
(ρUc p T ) inlet σTad4
~
convection heat flux radiation heat flux
σ Stefan-Boltzman constant (5.672 10-8 W/m2K4) (assumes convection overwhelms conduction) Radiation important at Bo < 10 26 / 26
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