Tutorial: Simulation of a Piloted Jet Flame using Unsteady

Laminar Flamelet Model

Introduction
The purpose of this tutorial is to demonstrate the setup and solution for simulation of a
piloted jet flame using the unsteady laminar flamelet model in ANSYS FLUENT 14.5.
The steady laminar flamelet model can simulate local chemical non-equilibrium due to the
aerodynamic straining of the flame by the turbulent flow-field. Species that respond quickly
to this turbulent straining (such as the OH radical) can be modeled accurately. However,
slow kinetic species like NOx, and in some cases CO, cannot be modeled directly with
the steady laminar flamelet model since their concentrations depend on their history of
molecular mixing and subsequent reaction.
As an alternative, NOx can be modeled in ANSYS FLUENT with the pollutant postprocess-
ing model. NOx and CO can also be modeled with the laminar finite-rate, eddy-dissipation-
concept (EDC) or PDF transport models. However, these three models are computationally
expensive since the chemistry is computed in every cell. A prerequisite to running the un-
steady flamelet model is to obtain a converged steady flamelet solution.
This tutorial demonstrates how to do the following:

• Set up and solve the steady laminar flamelet case by importing a CHEMKIN mecha-
nism and generating steady flamelets.

• Obtain a converged steady flamelet solution.

• Calculate a solution for unsteady flamelet model.

• Examine results using graphics.

Pre-requisites
This tutorial is written with the assumption that you have completed Tutorial 1 from
ANSYS FLUENT 14.5 Tutorial Guide, and that you are familiar with the ANSYS FLUENT
navigation pane and menu structure. Some steps in the setup and solution procedure will
not be shown explicitly.
You are expected to have a good understanding of modeling turbulence, species transport
and chemical reaction. For details, refer to Chapter 12: Modeling Turbulence and Section
15.1, Volumetric Reactions of the ANSYS FLUENT 14.5 User’s Guide.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

Problem Description
The unsteady laminar flamelet approach can model slow species formation, such as NO in
gas-phase reactors and product compounds in liquid reactors. Expensive chemical kinetic
calculations are performed in one-dimension, so complex 3D geometries can be economically
simulated with detailed chemical mechanisms.
A diagram of the piloted jet flame simulated in this tutorial is shown in the Figure 1.

Figure 1: Problem Schematic

Preparation

1. Copy the files, flameD-sfla.msh.gz and gri30.che to your working folder.

2. Use FLUENT Launcher to start the (2D) version of ANSYS FLUENT.

3. Enable Double-Precision in the Options list.

Note: The Display Options are enabled by default. Therefore, after you read in the
mesh, it will be displayed in the embedded graphics window.

Setup and Solution

Step 1: Mesh

1. Read in the mesh file, flameD-sfla.msh.gz.

File −→ Read −→Mesh...

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 Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

Step 2: General Settings

General

1. Check the mesh.

General −→ Check
ANSYS FLUENT will perform various checks on the mesh and will report the progress
in the console. Make sure the reported minimum volume is a positive number.

2. Examine the mesh.

Figure 2: Piloted Jet Flame

3. Select axisymmetric solver settings.

(a) Enable Axisymmetric from the 2D Space list.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

Step 3: Models

Models

1. Enable the realizable k- model.

Models −→ Viscous −→ Edit...

(a) Select k- Model from the Model list and enable Realizable under k- Model.
(b) Click OK to close the Viscous Model dialog box.

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 Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

2. Enable non-premixed combustion species model.

Models −→ Species −→ Edit...

(a) Select Non-Premixed Combustion under Model in the Species Model dialog box.
Note: Although the inlet stream is a mixture of air and methane (in order to
minimize sooting so that the flame species and temperature can be measured
with laser diagnostics), this mixture is so rich that the flame behaves much
like a non-premixed flame.
(b) Select Steady Diffusion Flamelet in the Chemistry tab.
(c) Ensure that Adiabatic is selected.
(d) Click the Import CHEMKIN Mechanism... button to open the CHEMKIN Mecha-
nism Import dialog box.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

i. Click the Browse button next to Gas-Phase CHEMKIN Mechanism File.

ii. Load gri30.che.
iii. Retain the default Gas-Phase Thermodynamic Database File.
iv. Click Import and close the CHEMKIN Mechanism Import dialog box.
(e) Click the Boundary tab in the Species Model dialog box.

i. Select Mole Fraction under Specify Species in.

ii. Enter 0.1575 for o2 under Fuel.
iii. Enter 0.25 for ch4 under Fuel.
iv. Enter 0.5925 for n2 under Fuel.

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v. Retain the default values for Oxid for all Species.

vi. Enter 294 K for Fuel and 291 K for Oxid under Temperature.
In order to save time in this tutorial, the chemistry will be modeled with a single
flamelet instead of a library of flamelets.
(f) Click the Control tab in the Species Model dialog box.

i. Enter 1.1 for Fourier Number Multiplier under Flamelet Controls.

The flamelet equations are integrated in time until convergence (or the time ex-
ceeds the maximum integration time). The time-step for flamelet integration is
multiplied by the fourier number multiplier at each step. Decreasing this number
to 1 improves stability.
(g) Click Flamelet tab in Species Model dialog box.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

i. Enter 1 for Maximum Number of Flamelets under Flamelet Parameters.

The steady flamelet solution is required as a starting point for solving the
unsteady flamelet solution. But it cannot accurately predict formation of
slow kinetic species. Hence you will use atleast one flamelet at which the
steady flamelet solution can be computed.
ii. Enter 33/s for Initial Scalar Dissipation under Flamelet Parameters.
This is the average scalar dissipation on the stoichiometric surface, which
can be verified after convergence.
iii. Click the Calculate Flamelets button.
Note: A dialog box appears and asks whether you want to save the flamelet.
Click Yes to save the flamelet to a file (flameD-sfla.fla.gz).
(h) Click the Table tab in the Species Model dialog box.

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 Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

i. Disable Include Equilibrium Flamelet.

If this option is enabled, an additional flamelet slice at zero aerodynamic
strain (zero scalar dissipation) is created. This must be included in the com-
putation only if there are areas of zero aerodynamic strain in the domain.
In the present case since you are using only a single flamelet, this option is
not required.
ii. Click the Calculate PDF Table button.
iii. Save the PDF file (flameD-sfla.pdf.gz).
File −→ Write −→PDF...
(i) Click OK to close the Species Model dialog box.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

Step 4: Boundary Conditions

Boundary Conditions

1. Set boundary conditions for inlet (jet).

Boundary Conditions −→ jet −→ Edit...

(a) Enter 49.6 m/s for Velocity Magnitude.

(b) Select Intensity and Hydraulic Diameter from the Specification Method drop-down
list under Turbulence.
(c) Enter 10% for Turbulent Intensity.
(d) Enter 0.0072 m for Hydraulic Diameter.
(e) Click the Species tab and enter 1 for the Mean Mixture Fraction.
(f) Click OK to close the Velocity Inlet dialog box.

2. Set boundary conditions for inlet (pilot).

Boundary Conditions −→ pilot −→ Edit...
(a) Enter 11.4 m/s for Velocity Magnitude.
(b) Select Intensity and Hydraulic Diameter from the Specification Method drop-down
list under Turbulence.
(c) Enter 10% for Turbulent Intensity.
(d) Enter 0.0165 m for Hydraulic Diameter.
(e) Click the Species tab and enter 0.2755 for the Mean Mixture Fraction.

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(f) Click OK to close the Velocity Inlet dialog box.

3. Set boundary conditions for inlet (coflow).

Boundary Conditions −→ coflow −→ Edit...
(a) Enter 0.9 m/s for Velocity Magnitude.
(b) Retain selection of Intensity and Viscosity Ratio from the Specification Method
drop-down list under Turbulence.
(c) Enter 10% for Turbulent Intensity.
(d) Retain 10 as Turbulent Viscosity Ratio.
(e) Click on the Species tab and retain 0 for the Mean Mixture Fraction.
(f) Click OK to close the Velocity Inlet dialog box.

4. Set boundary conditions for outlet (outlet).

Boundary Conditions −→ outlet −→ Edit...

(a) Retain selection of Intensity and Viscosity Ratio from the Specification Method
drop-down list under Turbulence.
(b) Enter 10% for Backflow Turbulent Intensity.
(c) Retain 10 for Backflow Turbulent Viscosity Ratio.
(d) Click OK to close the Pressure Outlet dialog box.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

Step 5: Solution for Steady Flamelet Model

1. Set the solution parameters.

Solution Methods
(a) Select Coupled from the Scheme drop-down list.
(b) Select PRESTO! from the drop-down list of Pressure under Spacial Discretization.
(c) Select Second Order Upwind for Turbulent Kinetic Energy and Turbulent Dissipation
Rate.
(d) Ensure that the rest of the parameters are set to Second Order Upwind.
(e) Enable Pseudo Transient.

2. Set the solution controls.

Solution Controls
(a) Enter 0.7 for Density in the Under-Relaxation Factors group box.

3. Initialize the solution.

Solution Initialization −→ Initialize
Hybrid Initialization is the default Initialization Method in ANSYS FLUENT 14.5. Refer
to the section 28.11 Hybrid Initialization, in the ANSYS FLUENT 14.5 User’s Guide.

4. Start the calculation by requesting 500 iterations.

Run Calculation
(a) Enter 500 for the Number of Iterations.
(b) Click Calculate.

5. Save the case and data files (flameD-sfla-1.cas.gz and flameD-sfla-1.dat.gz).

File −→ Write −→Case & Data...

6. Display the contours of mass fraction.

Graphics and Animations −→ Contours −→ Set Up...

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 Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

(a) Select Species... and Mass fraction of no from the Contours of drop-down lists.
(b) Click Display.

Figure 3: Contours of Mass Fraction of no

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

Step 6: Solution for Unsteady Laminar Flamelet Model

1. Define the species model.

Models −→ Species −→ Edit...
(a) Click the Chemistry tab and enable Unsteady Diffusion Flamelet.

The unsteady laminar flamelet model can be enabled in a steady-state ANSYS

FLUENT case file that employs steady flamelets generated in ANSYS FLUENT.
(b) Click the Boundary tab.
The Fuel and Oxid compositions for unsteady flamelet model are the same as for
the steady flamelet model and are not editable.
(c) Click the Control tab.

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i. Accept the default species under Species Zeroed in Initial Unsteady Flamelet.
The unsteady flamelet requires an ignition profile to initiate combustion, which
is taken as a steady strained flamelet. However, the steady flamelet solution for
slow species (such as NOx), is incorrect, and these species should be set to zero
in the initial flamelet. The slow species to be zeroed in initial unsteady flamelet
can be set by the user. Since the NOx species are already included in the default
list, accept the default list.
(d) Click the Flamelet tab.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

i. Accept the default value of 32 for Number of Mesh Points in Flamelet.

ii. Enter 0.4 for Mixture Fraction Lower Limit for Initial Probability.
The unsteady flamelet model convects (and diffuses) a marker probability
equation through the steady-state ANSYS FLUENT flow field in an unsteady
manner. This marker is initialized to 1 above the Mixture Fraction Lower
Limit for Initial Probability, and 0 below this value. In general, it should
be set to a value greater than the stoichiometric mixture fraction. For this
methane-air fuel mixture, the stoichiometric mixture fraction is about 0.35.
So set the Mixture Fraction Lower Limit for Initial Probability to 0.4.
iii. Enter 600/s for Maximum Scalar Dissipation.
Flamelets can extinguish at scalar dissipation rates greater than the extinc-
tion scalar dissipation. To prevent excessive scalar dissipation, ANSYS FLU-
ENT allows you to specify the maximum scalar dissipation during the flamelet
evolution, which should be set to approximately the extinction scalar dissipa-
tion. The extinction scalar dissipation can be calculated in ANSYS FLUENT
using the steady flamelet generator. For this flame, this has been performed
before and the extinction scalar dissipation rate is 600/s.
iv. Retain the default Courant Number of 1.
The marker probability equation convects/diffuses out of the domain over
time. The time-step is calculated automatically based on a Courant Number,
and the default of unity is almost always sufficient.
v. Click Initialize Unsteady Flamelet Probability
This initializes the marker probability, enables the unsteady solver in ANSYS
FLUENT, and disables all equations except the probability equation.

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(e) Click OK to close the Species Model dialog box.

ANSYS FLUENT will enable the unsteady solver and disable all equations except
the unsteady flamelet probability.

2. Enable plotting at the outlet.

Monitor the average probability at the outlet to gauge when it has convected/diffused
out of the domain. We run the calculation until the probability has been diffuse/convected
out of the domain, and there is no convergence criteria for other models/equations in
ANSYS FLUENT.
Monitors (Surface Monitors)−→ Create...

(a) Enable Plot and Write.

(b) Retain the default entry of surf-mon-1 for the Name of the surface monitor.
(c) Select Time Step from X Axis drop-down list.
(d) Select Time Step from Get Data Every drop-down list.
(e) Select Mass-Weighted Average from the Report Type drop-down list.
(f) Select Unsteady Flamelet... and Probability from Field Variable drop-down list.
(g) Select outlet under Surfaces.
(h) Click OK to close the Surface Monitors dialog box.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

3. Check the solution parameters.

Solution Methods

(a) Ensure that Second Order Upwind is selected from the Unsteady Flamelet Proba-
bility drop-down list under Discretization.

4. Save the case file (flameD-ufla-1.cas.gz).

File −→ Write −→Case....

5. Run the solution.

Run Calculation
(a) Enter 100 for Number of Time Steps.
(b) Click Calculate.

6. Save the data file (flameD-ufla-1.dat.gz).

File −→ Write −→Data...

Figure 4 is the monitor plot of outlet average probability, which shows probability increasing
with time, peaking, then decreasing to zero as the probability convects and diffuses out of
the domain.

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 Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

Figure 4: Convergence History of Probability on outlet

Step 7: Postprocessing for Unsteady Laminar Flamelet Model

1. Display the contours of probability (see Figure 5).

Graphics and Animations −→ Contours −→ Set Up...

(a) Select Unsteady Flamelet... and Probability from the Contours of drop-down lists.
(b) Click Display.

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Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

Figure 5: Contours of Probability

Note: You will observe that most of the probability marker has convected out of the
domain with only a small probability remaining near the outlet.

2. Display the contours of mean temperature (see Figure 6).

(a) Select Unsteady Flamelet... and Mean Temperature from the Contours of drop-
down lists.
(b) Click Display.

Figure 6: Contours of Mean Temperature

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 Simulation of a Piloted Jet Flame using Unsteady Laminar Flamelet Model

The contours of unsteady flamelet mean temperature differ slightly from the steady
flamelet temperature, which can be displayed under the contours of temperature
drop-down list.

3. Display the contours of the unsteady flamelet mean mass fraction of no. (see Figure 7).
(a) Select Unsteady Flamelet... and Mean Mass fraction of no from the Contours of
drop-down lists.
(b) Click Display.

Figure 7: Contours of Mass Fraction of no

The NO species is far from chemical equilibrium. The unsteady flamelet NO values are
in much better agreement with experimental data than the steady flamelet NO values,
(see Figure 3).

4. Click Close to exit the Contours dialog box.

Summary
This tutorial has demonstrated set up and solution of the unsteady laminar flamelet model
for a gas-phase, piloted jet diffusion flame. Kinetically limited species, in particular NOx
can be modeled using detailed kinetic mechanisms. Chemistry calculations are performed in
one dimension, allowing economic calculations for detailed kinetics with complex geometry.

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