From 97493a9c9004484e87882a122c10ba35dfc85edc Mon Sep 17 00:00:00 2001 From: bigfooted Date: Mon, 22 Dec 2025 11:07:47 +0100 Subject: [PATCH 1/4] TFC python wrapper tutorial --- .../multiphysics/TFC_python/TFC_python.md | 160 ++++++++++++++++++ .../TFC_python/images/TFC_c_init.png | Bin 0 -> 9059 bytes .../TFC_python/images/TFC_source.png | Bin 0 -> 63422 bytes .../TFC_python/images/TFC_temp.png | Bin 0 -> 19608 bytes .../TFC_python/images/TFC_temp_init.png | Bin 0 -> 9758 bytes 5 files changed, 160 insertions(+) create mode 100644 _tutorials/multiphysics/TFC_python/TFC_python.md create mode 100644 tutorials_files/multiphysics/TFC_python/images/TFC_c_init.png create mode 100644 tutorials_files/multiphysics/TFC_python/images/TFC_source.png create mode 100644 tutorials_files/multiphysics/TFC_python/images/TFC_temp.png create mode 100644 tutorials_files/multiphysics/TFC_python/images/TFC_temp_init.png diff --git a/_tutorials/multiphysics/TFC_python/TFC_python.md b/_tutorials/multiphysics/TFC_python/TFC_python.md new file mode 100644 index 00000000..823177bb --- /dev/null +++ b/_tutorials/multiphysics/TFC_python/TFC_python.md @@ -0,0 +1,160 @@ +--- +title: User Defined combustion model with Python +permalink: /tutorials/multiphysics/ +written_by: Nijso Beishuizen +for_version: 8.3.0 +revised_by: +revision_date: +revised_version: +solver: INC_NAVIER_STOKES +requires: SU2_CFD, python +complexity: advanced +--- + +![TFC_temp](../../../tutorials_files/multiphysics/TFC_python/images/TFC_temp.png) +Figure (1): high-pressure turbulent premixed flame of the Paul-Scherrer Institute (PSI), Switzerland + +## Goals + +In this tutorial we will simulate a high pressure turbulent premixed flame using the Turbulent Flamespeed Closure (TFC) model. This is a simple turbulent combustion model that can be implemented with a User Defined Source (UDS) in python. +In this tutorial we will touch upon the following aspects: +- Compile and run SU2 from within python. +- Create a User Defined Source +- Create User Defined boundary conditions +- Create User Defined initial conditions + + +## Resources + +The resources for this tutorial can be found in the [TFC_python](https://github.com/su2code/Tutorials/tree/master/multiphysics/TFC_python) directory in the [tutorial repository](https://github.com/su2code/Tutorials). You will need the configuration file ([psi.cfg](https://github.com/su2code/Tutorials/tree/master/multiphysics/TFC_python/psi.cfg)) and the mesh file ([psi.su2](https://github.com/su2code/Tutorials/tree/master/multiphysics/TFC_python/psi.su2)). Additionally, the Gmsh geometry is also provided so you can recreate the mesh yourself: [psi.geo](https://github.com/su2code/Tutorials/tree/master/multiphysics/TFC_python/psi.geo). + + +### Background + +Turbulent combustion can be very expensive to simulate with high accuracy. The Turbulent Flamespeed Closure model, first pioneered by Zimont, is a very simple model for turbulent premixed combustion that aims to give accurate predictions for temperature in turbulent premixed combustion. In the TFC model, a transport equation for the progress variable is solved: + +$$ \frac{\partial c}{\dt} + \nabla \cdot (\rho u c) = \nabla\cdot (\frac{\mu_t}{Sc_t}\nabla c) + \rho S_c$$ + +and the combustion source term is given by +$$ S_c = \rho_u U_t \nabla c$$, +with $\rho_u$ the unburnt density of the gas an $U_t$ the turbulent flamespeed. + +### Problem Setup + +First, SU2 needs to be compiled with python support. add the option *-Ddenable-pywrapper=true* to the meson setup. In this case, we compile including mpi support: + +```bash +$ ./meson.py setup build --optimization=2 -Denable-mixedprec=true -Ddebug=false -Denable-pywrapper=true --warnlevel=3 -Denable-autodiff=false -Denable-directdiff=false -Dwith-mpi=enabled -Dcustom-mpi=true --prefix=/home/user/Codes/su2_github_develop/su2/ +``` + +Note that the python wrapper (or your python setup) might need additional python packages that you need to install. Especially the python package mpi4py is important if you would like to work with mpi. The mpi4py package should match your installed mpi library, usually openmpi or mpich. + + +### Mesh Description + +The geometry of this testcase is provided as a gmsh file and matches the size of the experiment of Griebel et al (2007), https://doi.org/10.1016/j.proci.2006.07.042. + +The mesh consists of a a coarse structured mesh with 12.4k cells and 12.7k points. The mesh was created using Gmsh and the configuration file to create the mesh can be found here: [psi.geo](https://github.com/su2code/Tutorials/tree/master/multiphysics/TFC_python/psi.geo). The only thing you need to do to create a mesh from the geometry is start Gmsh, and then load the .geo file. You will then see the geometry in the Gmsh visualization window. If you click on *Mesh->2D* the 2D mesh will be generated. You can then export the mesh as a .su2 file by choosing *File->Export*. The mesh will automatically be saved in su2 format when the filename has been given the extension .su2. In general, you should not choose *save all elements* because this will also save additional points that were used to construct the geometry but are not part of the final mesh, like for example the center of a circle. + + +### Configuration File Options + +The setup for this testcase consists of 2 files: +- the run.py file is the python file that runs the case. in this file, we simply import the su2 capabilities using *import pysu2* +- the psi.cfg file for the basic setup. Some settings will be overwritten by python. + +In the configuration file, we have set up a case for turbulent incompressible flow using the k-omega SST model. We have also activated the energy equation (sensible enthalpy) and species transport. +``` +SOLVER= INC_RANS +KIND_TURB_MODEL= SST +INC_ENERGY_EQUATION= YES +KIND_SCALAR_MODEL= SPECIES_TRANSPORT +``` + + +in the python file, we have defined several functions to set up the testcase. The first function creates a simple initial condition for the progress variable c: +```python ################################################################## # +# create a function for the initial progress variable c # ################################################################## # +def initC(coord): + x = coord[0] + #y = coord[1] + #z = coord[2] + # location where the flame should be + flame_x = 0.012 + if (x < flame_x): + C = 0.0 + else: + C = 1.0 + + return C + +# ################################################################## # +# loop over all vertices and set the species progress variable c # ################################################################## # +def SetInitialSpecies(SU2Driver): + allCoords = SU2Driver.Coordinates() + iSPECIESSOLVER = SU2Driver.GetSolverIndices()['SPECIES'] + for iPoint in range(SU2Driver.GetNumberNodes()): + coord = allCoords.Get(iPoint) + C = initC(coord) + # now update the initial condition for the species + SU2Driver.Solution(iSPECIESSOLVER).Set(iPoint,0,C) + +``` + +![TFC_temp_init](../../../tutorials_files/multiphysics/TFC_python/images/TFC_temp_init.png) +Figure(2): initial temperature field created using the python wrapper + +Note that when setting the solution, we use the index=0, because we have only 1 species transport equation. When setting a flow solution, the index to the required field should be used. The indices can be retrieved using: +```python +print("indices of solver variables: ", getsolvar(driver)) +``` +with the result: +``` +indices of solver variables: {'PRESSURE': 0, 'VELOCITY_X': 1, 'VELOCITY_Y': 2, 'TEMPERATURE': 3} +``` + + +in the main function, we simply check in the config file if **RESTART=YES** to decide if we want to overwrite the solution for the progress variable. + +```python + # ### Check if we do a restart or not. ### + with open('psi.cfg') as f: + if 'RESTART_SOL= YES' in f.read(): + if rank == 0: + print("restarting from file") + else: + # We can set an initial condition by calling this function: + if rank == 0: + print("Using user defined initial condition.") + SetInitialSpecies(driver) + +``` + +The functions *update_temperature* and *zimont* implement the algebraic temperature relationship and the source term for the progress variable. Then in the main file, we simply loop over all points in the domain, compute the source term and add it to the progress variable equation: +```python + Source = driver.UserDefinedSource(iSPECIESSOLVER) + + # set the source term, per point + for i_node in range(driver.GetNumberNodes() - driver.GetNumberHaloNodes()): + # add source term: + # default TFC of Zimont: rho*Sc = rho_u * U_t * grad(c) + S = zimont(driver,i_node) + Source.Set(i_node,0,S) + +``` + +Note that we do not add the source term to the halo nodes, which are used in parallel computing. In parallel computing we divide the mesh in parts and each cpu gets a part, which is called a rank. the points on the interface between ranks need information from the other side of the interface, but this information is computed on another rank. This is why each rank has halo points, which are copies of the points on the other side of the rank. They should not be taken into account in any computation, because they are in fact copies of points that *are* taken into account during the computation. + + +### Running SU2 + +If possible, always use a parallel setup to reduce computational time (wall clock time). Run the SU2_CFD executable in parallel using MPI and 4 nodes by entering: + + $ mpirun -n 4 python run.py + +### Results + +![TFC_source](../../../tutorials_files/multiphysics/TFC_python/images/TFC_source.png) +Figure (3): visualization of the TFC source term for the turbulent combustion model, together with the streamlines. A large recirculation region has formed between the flame and the wall of the combustion chamber. + +Also note that we clip the species between [0,1]. Sometimes this clipping is necessary on coarse grids. 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z!x9fozYLb}7+5fJhl+X)ugZ$SsWsEEA8(^v{KLyz9RwHoraCm}Ex;+y_uP9UqKq*A2SDX7+w_@jU@(|yTqnV7comF$L64p%jksKIbSA`^ zAFx&nSrVu=&5zH8WPGyOwaEyd3QBY2*##$KtlYLD_%@Y%qd*Rvpp3Q;MvIWpZf+pW z05ZS6?6pg+Dfcr{$mU%Mbkj2q3u7kZ$>ytGTgM*!a=keJ)nk7$^(sg=45ssuX>R*+ z+LpdoN4neC9{8&Z>uZA+XCg3|_s@i9?zEOkWQ~9PD4_B^e`rtj_y>zy5=4O1$v`@X zNj5Ef{rawyi50O2d5bn??jX27RFComN+Bygqwe%2j={ytHZnjpf;|Kv=Hx)qd4y&;;ZdmbPBK)G|%gUuV0W({zO+=+X6ZSL-bm4$#}Y zSMGpbqzXi@bBvZu$>1xtaEx9r@>wvJc+lo zw3N1Mk55(!^0#={qfXD~t`ws;dxOUij^}M(F-sh=+kWKlwa8B=A9w V(XF`0{m^4K)pga%u37)_{{U^KYcl`< literal 0 HcmV?d00001 From f90ec9a04599668eae508d164a5ff8e952e55527 Mon Sep 17 00:00:00 2001 From: bigfooted Date: Mon, 22 Dec 2025 11:18:35 +0100 Subject: [PATCH 2/4] synch with develop --- .github/workflows/publish_su2_validation.yml | 2 +- _docs/Installation.md | 2 +- _docs_v7/Theory.md | 5 ++--- 3 files changed, 4 insertions(+), 5 deletions(-) diff --git a/.github/workflows/publish_su2_validation.yml b/.github/workflows/publish_su2_validation.yml index d99afae7..f6a8d779 100644 --- a/.github/workflows/publish_su2_validation.yml +++ b/.github/workflows/publish_su2_validation.yml @@ -182,7 +182,7 @@ jobs: # Process images with their relative path find "${dir}" -type f \( -iname "*.png" -o -iname "*.jpg" -o -iname "*.jpeg" \) | sort | while read -r img; do # Calculate relative path - rel_path="/${img#*/vandv_files/}" + rel_path="../${img#*/vandv_files/}" echo "\"${folder_name}" >> "${OUTPUT_FILE}" echo "" >> "${OUTPUT_FILE}" done diff --git a/_docs/Installation.md b/_docs/Installation.md index 7a057be9..e5df89cc 100644 --- a/_docs/Installation.md +++ b/_docs/Installation.md @@ -22,7 +22,7 @@ In general, all SU2 execution occurs via command line arguments within a termina ### Data Visualization -Users of SU2 need a data visualization tool to post-process solution files. The software currently supports .vtk and .plt output formats natively read by ParaView and Tecplot, respectively. ParaView provides full functionality for data visualization and is freely available under an open source license. Tecplot is a commercially-licensed software package widely used by the scientific computing community and is available for purchase. Some SU2 results are also output to comma-separated value (.csv) files, which can be read by a number of software packages. Furthermore, CGNS output files can also be generated, which can also be read by the majority of visualization programs. The three most typical packages used by the development team are the following: +Users of SU2 need a data visualization tool to post-process solution files. The software currently supports .vtk and .plt output formats natively read by ParaView and Tecplot, respectively. ParaView provides full functionality for data visualization and is freely available under an open source license. Tecplot is a commercially-licensed software package widely used by the scientific computing community and is available for purchase. Some SU2 results are also output to comma-separated value (.csv) files, which can be read by a number of software packages. Furthermore, CGNS output files can also be generated, which can also be read by the majority of visualization programs. The two most typical packages used by the development team are the following: - ParaView - Tecplot - FieldView diff --git a/_docs_v7/Theory.md b/_docs_v7/Theory.md index c03d7ddc..935d81a1 100644 --- a/_docs_v7/Theory.md +++ b/_docs_v7/Theory.md @@ -264,12 +264,11 @@ $$S$$ is a generic source term, and the convective and viscous fluxes are $$\bar{F}^{c}(V) = \left\{\begin{array}{c} \rho Y_1 \bar{v} \\ ... \\\rho Y_{N-1} \, \bar{v} \end{array} \right\}$$ -$$\bar{F}^{v}(V,\nabla V) = \left\{\begin{array}{c} \rho D \nabla Y_{1} \\ ... \\ \rho D \nabla Y_{N-1} \end{array} \right\} $$ +$$\bar{F}^{v}(V,\nabla V) = \left\{\begin{array}{c} D \nabla Y_{1} \\ ... \\ D \nabla Y_{N-1} \end{array} \right\} $$ with $$D$$ $$[m^2/s]$$ being the mass diffusion. -For turbulence modeling, the diffusion coefficient becomes: -$$\rho D = \rho D_{lam} + \frac{\mu_T}{Sc_{T}}$$ +$$D = D_{lam} + \frac{\mu_T}{Sc_{T}}$$ where $$\mu_T$$ is the eddy viscosity and $$Sc_{T}$$ $$[-]$$ the turbulent Schmidt number. From a826069ff4c70b94e1f4fa4058702b55be86f985 Mon Sep 17 00:00:00 2001 From: bigfooted Date: Mon, 22 Dec 2025 11:19:57 +0100 Subject: [PATCH 3/4] synch with develop --- _vandv/SANDIA_jet.md | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/_vandv/SANDIA_jet.md b/_vandv/SANDIA_jet.md index 1cfbb47f..7c15ebe1 100644 --- a/_vandv/SANDIA_jet.md +++ b/_vandv/SANDIA_jet.md @@ -8,9 +8,9 @@ permalink: /vandv/SANDIA_jet/ | `INC_RANS` | 7.5.0 | Sem Bosmans | -The details of the 2D Axisymmetric, Nonpremixed, Nonreacting, Variable Density, Turbulent Jet Flow are taken from [Sandia National Laboratories database](https://tnfworkshop.org/data-archives/simplejet/propanejet) [1](#ref1),[2](#ref2). +The details of the 2D Axisymmetric, Nonpremixed, Nonreacting, Variable Density, Turbulent Jet Flow are taken from [Sandia National Laboratories database](https://tnfworkshop.org/data-archives/simplejet/propanejet) $$^{1},^{2}$$. -By comparing the results of SU2 simulations case against the experimental data, as well as OpenFOAM simulation results [3](#ref3) (and MFSim [4](#ref4)), we can build a high degree of confidence that the composition-dependent model is implemented correctly in combination with the SST turbulence model. Therefore, the goal of this case is to validate the implementation of the composition-dependent model in SU2. +By comparing the results of SU2 simulations case against the experimental data, as well as OpenFOAM simulation results $$^{3}$$ (and MFSim $$^{4}$$), we can build a high degree of confidence that the composition-dependent model is implemented correctly in combination with the SST turbulence model. Therefore, the goal of this case is to validate the implementation of the composition-dependent model in SU2. ## Problem Setup The problem consists of a turbulent propane jet mixing into coflowing air. The schematic overview of this problem is given in the figure below: @@ -19,7 +19,7 @@ The problem consists of a turbulent propane jet mixing into coflowing air. The s Schematic overview of the problem setup

-The flow conditions are based on the Sandia experiment [1](#ref1): +The flow conditions are based on the Sandia experiment $$^{1}$$: - Temperature = 294 [K] - Thermodynamic pressure = 101325 [Pa] @@ -137,7 +137,7 @@ The comparisons in the figures demonstrate good agreement with the experimental Mean density along Jet Centerline

-The experimental results for the mean density are given in Sandia’s database, but these are directly computed from the mixture fraction by making use of the ratio between the density of propane and air. The ratio that is being used for this purpose is 1.6 [2](#ref2), whereas the expected ratio is lower. The higher density ratio used in the post-processing of the experimental data results in a wider density range across the domain, which can partly explain the differences between the experimental data and the numerical results on the density along the jet centerline. Note that the spreading rate of a jet is independent of the initial density ratio [2](#ref2). +The experimental results for the mean density are given in Sandia’s database, but these are directly computed from the mixture fraction by making use of the ratio between the density of propane and air. The ratio that is being used for this purpose is 1.6 $$^{2}$$, whereas the expected ratio is lower. The higher density ratio used in the post-processing of the experimental data results in a wider density range across the domain, which can partly explain the differences between the experimental data and the numerical results on the density along the jet centerline. Note that the spreading rate of a jet is independent of the initial density ratio $$^{2}$$.

Residuals Convergence for the Turbulent Jet Mixing @@ -146,10 +146,10 @@ The experimental results for the mean density are given in Sandia’s database, --- ### References -[1] R.W. Schefer, "Data Base for a Turbulent, Nonpremixed, Nonreacting, Propane-Jet Flow", tech. rep., Sandia National Laboratories, Livermore, CA, 2001. +$$^{1}$$ R.W. Schefer, "Data Base for a Turbulent, Nonpremixed, Nonreacting, Propane-Jet Flow", tech. rep., Sandia National Laboratories, Livermore, CA, 2001. -[2] R.W. Schefer, F.C. Gouldin, S.C. Johnson and W. Kollmann, "Nonreacting Turbulent Mixing Flows", tech. rep., Sandia National Laboratories, Livermore, CA, 1986. +$$^{2}$$ R.W. Schefer, F.C. Gouldin, S.C. Johnson and W. Kollmann, "Nonreacting Turbulent Mixing Flows", tech. rep., Sandia National Laboratories, Livermore, CA, 1986. -[3] A. Aghajanpour and S. Khatibi, "Numerical Simulation of Velocity and Mixture Fraction Fiels in a Turbulent Non-reacting Propane Jet Flow Issuing into Parallel Co-Flowing Air in Isothermal Condition through OpenFOAM", 2023. +$$^{3}$$ A. Aghajanpour and S. Khatibi, "Numerical Simulation of Velocity and Mixture Fraction Fiels in a Turbulent Non-reacting Propane Jet Flow Issuing into Parallel Co-Flowing Air in Isothermal Condition through OpenFOAM", 2023. -[4] V. Goncalves, G.M. Magalhaes and J.M. Vedovetto, "Urans Simulation of Turbulent Non-Premixed and Non-Reacting Propane Jet Flow", Associacao Brasileira de Engenharia e Ciencias Mecanicas - ABCM, 2021. +$$^{4}$$ V. Goncalves, G.M. Magalhaes and J.M. Vedovetto, "Urans Simulation of Turbulent Non-Premixed and Non-Reacting Propane Jet Flow", Associacao Brasileira de Engenharia e Ciencias Mecanicas - ABCM, 2021. From fccccac20df6fa04bdb67bf176168b8ca8f784c4 Mon Sep 17 00:00:00 2001 From: bigfooted Date: Sat, 10 Jan 2026 17:29:18 +0100 Subject: [PATCH 4/4] update text and images --- .../multiphysics/TFC_python/TFC_python.md | 171 ++++++++++++++++-- .../TFC_python/images/TFC_c_correction.png | Bin 0 -> 21065 bytes .../images/TFC_source_correction.png | Bin 0 -> 27379 bytes .../TFC_python/images/TFC_temp_correction.png | Bin 0 -> 51548 bytes .../TFC_python/images/TFC_temp_heatloss.png | Bin 0 -> 49613 bytes 5 files changed, 155 insertions(+), 16 deletions(-) create mode 100644 tutorials_files/multiphysics/TFC_python/images/TFC_c_correction.png create mode 100644 tutorials_files/multiphysics/TFC_python/images/TFC_source_correction.png create mode 100644 tutorials_files/multiphysics/TFC_python/images/TFC_temp_correction.png create mode 100644 tutorials_files/multiphysics/TFC_python/images/TFC_temp_heatloss.png diff --git a/_tutorials/multiphysics/TFC_python/TFC_python.md b/_tutorials/multiphysics/TFC_python/TFC_python.md index 823177bb..35f3c094 100644 --- a/_tutorials/multiphysics/TFC_python/TFC_python.md +++ b/_tutorials/multiphysics/TFC_python/TFC_python.md @@ -18,10 +18,11 @@ Figure (1): high-pressure turbulent premixed flame of the Paul-Scherrer Institut In this tutorial we will simulate a high pressure turbulent premixed flame using the Turbulent Flamespeed Closure (TFC) model. This is a simple turbulent combustion model that can be implemented with a User Defined Source (UDS) in python. In this tutorial we will touch upon the following aspects: -- Compile and run SU2 from within python. +- Compile and run SU2 from within python using the python wrapper - Create a User Defined Source - Create User Defined boundary conditions - Create User Defined initial conditions +- Overwrite the enthalpy (temperature) field with a user defined field. ## Resources @@ -31,30 +32,30 @@ The resources for this tutorial can be found in the [TFC_python](https://github. ### Background -Turbulent combustion can be very expensive to simulate with high accuracy. The Turbulent Flamespeed Closure model, first pioneered by Zimont, is a very simple model for turbulent premixed combustion that aims to give accurate predictions for temperature in turbulent premixed combustion. In the TFC model, a transport equation for the progress variable is solved: +Turbulent combustion can be very expensive to simulate, especially when high accuracy is required and detailed information about specific species (NOx emissions for instance) is required. The Turbulent Flamespeed Closure (TFC) model, first pioneered by Zimont, is a very simple model for turbulent premixed combustion that aims to give accurate predictions for temperature in turbulent premixed combustion. When the goal is to mainly resolve the flame structure and gas temperature to compute for instance burner temperatures in a conjugate heat transfer setup, then the TFC model has sufficient accuracy. In the TFC model, a transport equation for the progress variable is solved: $$ \frac{\partial c}{\dt} + \nabla \cdot (\rho u c) = \nabla\cdot (\frac{\mu_t}{Sc_t}\nabla c) + \rho S_c$$ and the combustion source term is given by $$ S_c = \rho_u U_t \nabla c$$, -with $\rho_u$ the unburnt density of the gas an $U_t$ the turbulent flamespeed. +with $\rho_u$ the unburnt density of the gas an $U_t$ the turbulent flamespeed. The Zimont model uses the gradient of the progress variable to construct the source term, but other models exist as well. These models can be implemented easily in SU2 by writing a user defined source term in the python wrapper. ### Problem Setup -First, SU2 needs to be compiled with python support. add the option *-Ddenable-pywrapper=true* to the meson setup. In this case, we compile including mpi support: +First, SU2 needs to be compiled with python support. Add the option *-Denable-pywrapper=true* to the meson setup. In this case, we compile including mpi support: ```bash -$ ./meson.py setup build --optimization=2 -Denable-mixedprec=true -Ddebug=false -Denable-pywrapper=true --warnlevel=3 -Denable-autodiff=false -Denable-directdiff=false -Dwith-mpi=enabled -Dcustom-mpi=true --prefix=/home/user/Codes/su2_github_develop/su2/ +$ ./meson.py setup build --optimization=2 -Ddebug=false -Denable-pywrapper=true -Dwith-mpi=enabled -Dcustom-mpi=true --prefix=/home/user/Codes/su2code/su2/ ``` -Note that the python wrapper (or your python setup) might need additional python packages that you need to install. Especially the python package mpi4py is important if you would like to work with mpi. The mpi4py package should match your installed mpi library, usually openmpi or mpich. +Note that the python wrapper (or your python setup) might need additional python packages that you need to install. Especially the python package mpi4py is important if you would like to work with mpi. The mpi4py package should match your installed mpi library, usually openmpi or mpich. The easiest way to setup a working environment is to create a conda environment and install all necessary packages in this environment. ### Mesh Description -The geometry of this testcase is provided as a gmsh file and matches the size of the experiment of Griebel et al (2007), https://doi.org/10.1016/j.proci.2006.07.042. +The geometry of this testcase is provided as a gmsh file and matches the of the experimental setup of Griebel et al (2007), https://doi.org/10.1016/j.proci.2006.07.042. -The mesh consists of a a coarse structured mesh with 12.4k cells and 12.7k points. The mesh was created using Gmsh and the configuration file to create the mesh can be found here: [psi.geo](https://github.com/su2code/Tutorials/tree/master/multiphysics/TFC_python/psi.geo). The only thing you need to do to create a mesh from the geometry is start Gmsh, and then load the .geo file. You will then see the geometry in the Gmsh visualization window. If you click on *Mesh->2D* the 2D mesh will be generated. You can then export the mesh as a .su2 file by choosing *File->Export*. The mesh will automatically be saved in su2 format when the filename has been given the extension .su2. In general, you should not choose *save all elements* because this will also save additional points that were used to construct the geometry but are not part of the final mesh, like for example the center of a circle. +The mesh consists of a a coarse structured mesh with 16.3k cells and 16.6k points. The mesh was created using Gmsh and the configuration file to create the mesh can be found here: [psi.geo](https://github.com/su2code/Tutorials/tree/master/multiphysics/TFC_python/psi.geo). The only thing you need to do to create a mesh from the geometry is start Gmsh, and then load the .geo file. You will then see the geometry in the Gmsh visualization window. If you click on *Mesh->2D* the 2D mesh will be generated. You can then export the mesh as a .su2 file by choosing *File->Export*. The mesh will automatically be saved in su2 format when the filename has been given the extension .su2. In general, you should not choose *save all elements* because this will also save additional points that were used to construct the geometry but are not part of the final mesh, like for example the center of a circle. ### Configuration File Options @@ -63,14 +64,17 @@ The setup for this testcase consists of 2 files: - the run.py file is the python file that runs the case. in this file, we simply import the su2 capabilities using *import pysu2* - the psi.cfg file for the basic setup. Some settings will be overwritten by python. -In the configuration file, we have set up a case for turbulent incompressible flow using the k-omega SST model. We have also activated the energy equation (sensible enthalpy) and species transport. +In the configuration file, we have set up a case for turbulent incompressible flow using the k-omega SST model. We have also deactivated the energy equation (sensible enthalpy) and species transport. ``` SOLVER= INC_RANS KIND_TURB_MODEL= SST -INC_ENERGY_EQUATION= YES +INC_ENERGY_EQUATION= NO KIND_SCALAR_MODEL= SPECIES_TRANSPORT +PYTHON_CUSTOM_SOURCE= YES ``` +Note that the although the enthalpy equation is not solved, the enthalpy field is present. It is just a constant field and not altered by any computation. Every iteration, the temperature is computed from the enthalpy field, independent of the energy equation being active or not. +To activate the custom source term, we keyword **PYTHON_CUSTOM_SOURCE= YES** is used. in the python file, we have defined several functions to set up the testcase. The first function creates a simple initial condition for the progress variable c: ```python ################################################################## # @@ -104,7 +108,7 @@ def SetInitialSpecies(SU2Driver): ![TFC_temp_init](../../../tutorials_files/multiphysics/TFC_python/images/TFC_temp_init.png) Figure(2): initial temperature field created using the python wrapper -Note that when setting the solution, we use the index=0, because we have only 1 species transport equation. When setting a flow solution, the index to the required field should be used. The indices can be retrieved using: +Note that when setting the species solution, we use the index=0, because we have only 1 species transport equation. When setting a flow solution, the index to the required field should be used. The indices can be retrieved using: ```python print("indices of solver variables: ", getsolvar(driver)) ``` @@ -113,8 +117,9 @@ with the result: indices of solver variables: {'PRESSURE': 0, 'VELOCITY_X': 1, 'VELOCITY_Y': 2, 'TEMPERATURE': 3} ``` +Note that index 3 is actually the sensible enthalpy, and from this, we compute the temperature. In our setup we want to overwrite the temperature. Because internally, temperature is always computed from the energy equation (be that temperature, or enthalpy), it is best to overwrite the enthalpy and let SU2 compute the temperature internally. -in the main function, we simply check in the config file if **RESTART=YES** to decide if we want to overwrite the solution for the progress variable. +in the main function, we simply check in the config file if **RESTART=YES** to decide if we want to overwrite the initial solution for the progress variable with our user defined initial solution: ```python # ### Check if we do a restart or not. ### @@ -130,7 +135,7 @@ in the main function, we simply check in the config file if **RESTART=YES** to d ``` -The functions *update_temperature* and *zimont* implement the algebraic temperature relationship and the source term for the progress variable. Then in the main file, we simply loop over all points in the domain, compute the source term and add it to the progress variable equation: +The functions *update_temperature* and *zimont* implement the algebraic temperature relationship and the source term for the progress variable. Then in the main function, we simply loop over all points in the domain, compute the source term and add it to the progress variable equation: ```python Source = driver.UserDefinedSource(iSPECIESSOLVER) @@ -143,8 +148,73 @@ The functions *update_temperature* and *zimont* implement the algebraic temperat ``` -Note that we do not add the source term to the halo nodes, which are used in parallel computing. In parallel computing we divide the mesh in parts and each cpu gets a part, which is called a rank. the points on the interface between ranks need information from the other side of the interface, but this information is computed on another rank. This is why each rank has halo points, which are copies of the points on the other side of the rank. They should not be taken into account in any computation, because they are in fact copies of points that *are* taken into account during the computation. +Note that we do not add the source term to the halo nodes, which are used in parallel computing. In parallel computing we divide the mesh in parts and each cpu gets a part, which is called a rank. The points on the interface between ranks need information from the other side of the interface. But this information is computed on another rank and not directly available. This is why each rank has halo points, which are copies of the points on the other side of the rank. During a synchronisation step, all information in the halo nodes is updated so the local computations on each of the ranks can proceed with the correct information present at the rank boundaries. They should not be taken into account in any computation, because they are in fact copies of points that *are* taken into account during the computation. +For the temperature update, we update all points, including the halo points. Because we overwrite the entire enthalpy (and temperature) field, and no other computations are performed on the enthalpy field, the halo points would not get updated and this will lead to incorrect computations of gradients at the rank interface. +```python + # for the update of temperature, we need to update also the halo nodes + for i_node in range(driver.GetNumberNodes()): + # set the temperature to T = c*Tf + (1-c)*Tu + update_temperature(driver, i_node) +``` + +The actual temperature update is done in update_temperature: +``` +# ################################################################## # +# Temperature is an algebraic function of c +# ################################################################## # +def update_temperature(SU2Driver, iPoint): + # first, get the progress variable + iSPECIESSOLVER = SU2Driver.GetSolverIndices()['SPECIES'] + # Note: returns a list + C = SU2Driver.Solution(iSPECIESSOLVER)(iPoint,0) + T = Tu*(1-C) + Tf*C + + iFLOWSOLVER = SU2Driver.GetSolverIndices()['INC.FLOW'] + # 0 1 2 3 + # pressure, velocity-x, velocity-y, enthalpy + iENTH = 3 + SU2Driver.Solution(iFLOWSOLVER).Set(iPoint,iENTH, cp_u*(T-Tref)) +``` +We update the sensible enthalpy and let SU2 compute the temperature internally. + +The computation of the source term according to Zimon is given by: +``` +# ################################################################## # +# Source term according to Zimont +# ################################################################## # +def zimont(SU2Driver, iPoint, nDim): + + iSSTSOLVER = SU2Driver.GetSolverIndices()['SST'] + tke, dissipation = SU2Driver.Solution(iSSTSOLVER)(iPoint) + + iSPECIESSOLVER = SU2Driver.GetSolverIndices()['SPECIES'] + # get the gradient of species_0 + gradc = SU2Driver.Gradient(iSPECIESSOLVER)(iPoint,0) + primindex = SU2Driver.GetPrimitiveIndices() + iDENSITY = primindex.get("DENSITY") + iMU = primindex.get("LAMINAR_VISCOSITY") + + rho = SU2Driver.Primitives()(iPoint,iDENSITY) + mu = SU2Driver.Primitives()(iPoint,iMU) + nu=mu/rho + # Turbulent Flamespeed Closure with Dinkelacker correction + up = np.sqrt((2.0/3.0) * tke ) + lt = (0.09**0.75) * (tke**1.5) / dissipation + Re = up*lt/nu + + Ut = Slu * (1.0 + (0.46/Le) * np.power(Re,0.25) * np.power(up/Slu,0.3) * np.power(Pu,0.2) ) + + norm_gradc = 0.0 + for idim in range(nDim): + norm_gradc += gradc[idim]*gradc[idim] + norm_gradc = np.sqrt(norm_gradc) + Sc = rho_u * Ut * norm_gradc + + return Sc +``` +Note that we are using here a different formulation for the turbulent velocity, as described in papers by Dinkelacker and Muppala. The turbulence velocity is now such that if the turbulent kinetic energy is zero, the laminar flame velocity is retrieved. We also include a correction for the Lewis number to take into account the effect of preferential diffusion on the flame speed. This allows to work with hydrogen as a fuel as well. Note that for accurate simulations of hydrogen flames, especially in the laminar regime, preferential diffusion needs to be taken into account in a more elaborate way by introducing the mixture fraction and by considering the flame as a partially premixed flame (even a perfectly premixed hydrogen flame will become partially premixed in the flame zone). + ### Running SU2 @@ -155,6 +225,75 @@ If possible, always use a parallel setup to reduce computational time (wall cloc ### Results ![TFC_source](../../../tutorials_files/multiphysics/TFC_python/images/TFC_source.png) -Figure (3): visualization of the TFC source term for the turbulent combustion model, together with the streamlines. A large recirculation region has formed between the flame and the wall of the combustion chamber. +Figure (3): visualization of the TFC source term for the turbulent combustion model, together with the streamlines. + + +The solution of the flame region can be visualised using the User Defined Source UDS_0. A large recirculation region has also formed between the flame and the wall of the combustion chamber, causing heat transfer between the flame and the wall. + +Note that we clip the species between [0,1] to prevent (temporary) unphysical values and prevent divergence. Sometimes this clipping is necessary on coarse grids. The clipping will be visible in the residuals of the progress variable, since clipping prevents local convergence. + +### Heat losses: enthalpy source term + +When heat losses at the wall need to be taken into account, this can be done by solving the energy (enthalpy) equation. The wall boundaries can be given a wall temperature in the usual way. To take into account combustion, we add a source term similar to the Zimont source term for the progress variable. This replaces the algebraic computation of the enthalpy and temperature. + +``` + iENTH = 3 + Source_h.Set(i_node, iENTH, 0.0284*50.5*1e6*S) +``` + +The source term S needs to be multiplied by the lower heating value of the mixture 50.5 MJ/kg and the mass fraction of methane in the mixture (with equivalence ratio 0.5, this amounts to Y=0.0284). +In the config file, the wall temperature can now be set to an appropriate temperature. Since the combustion chamber is known to become very hot, we set the walls to 1200K. The wall temperature is imposed weakly, meaning that we compute the wall flux from Fourier's law and impose that flux: +$$ q_w = k_f \left( \frac{\partial T}{\partial n} \right)_{\textrm{wall}$$ +The near wall mesh needs to be fine enough to accurately represent the flux. + + +![TFC_source](../../../tutorials_files/multiphysics/TFC_python/images/TFC_temp_heatloss.png) +Figure (4): visualization of the temperature with a line plot showing the wall temperature. + +Figure 4 shows the temperature in the domain, clearly showing the thermal boundary layer at the wall. In the upper left corner the temperature redistribution due to the recirculation zone is also clearly present. +More accurate modeling can be achieved by taking into account the effect of heat loss on the laminar flame speed. In cantera, the laminar flame speed can be computed and a relationship for the laminar flame speed $S_L(\Delta h_t)$ as a function of the enthalpy deficiency can be used instead of a constant $S_L$. The local flame quenching due to heat losses at the wall can then be taken into account. The total enthalpy can be computed from the sensible enthalpy and the progress variable, noticing that when the progress variable is 1, then all chemical enthalpy has been converted into sensible enthalpy. + +The heating value of methane is 50.5 MJ/kg, and with a mass fraction of $Y=0.0284$ we have a chemical enthalpy of $h_{\textrm{chem}}^{\textrm{max}} = 1.4342 MJ/kg$. With our chemical enthalpy converted to sensible enthalpy, our flame temperature ends up to be around 1735K. + +With the measured flame temperature of T=1777K (used in our algebraic relationship for temperature), we compute a sensible enthalpy of 2MJ/kg, very close to the total enthalpy computed using the sum of the initial sensible enthalpy and the chemical enthalpy. + +Our progress variable now tells us that the chemical enthalpy that we have left is $h_{\textrm{chem}} = c \cdot h_{chem}^{\textrm{max}}$. +Since total enthalpy is conserverved during combustion, the temperature difference between the actual temperature and the temperature computed from the sensible enthalpy gives us the heat loss. With this enthalpy deficiency we can compute the local laminar flame speed and the corrected source term. + +![TFC_source](../../../tutorials_files/multiphysics/TFC_python/images/TFC_source_correction.png) +Figure (4): visualization of the source term showing the results using constant laminar flamespeed (top) and the variable laminar flamespeed (bottom). + + +![TFC_source](../../../tutorials_files/multiphysics/TFC_python/images/TFC_temp_correction.png) +Figure (5): visualization of the temperature showing the result using constant laminar flamespeed (top) and the variable laminar flamespeed (bottom). + +Figures 4 and 5 show a comparison between the simulation results using a constant laminar flamespeed and a variable laminar flamespeed that takes into account local heat losses. In Figure 4, the source term is smaller close to the wall where the flame attaches. The temperature field in Figure 5 shows that the flame zone is more diffusive. +![TFC_source](../../../tutorials_files/multiphysics/TFC_python/images/TFC_c_correction.png) +Figure (6): Line plot of the progress variable on the centerline showing the result using constant laminar flamespeed and variable laminar flamespeed. + +Figure 6 confirms that the flame is more diffuse with variable S_L. + +Note that with python it is also very easy to impose temperature profiles. The code is simply: +```def ApplyWallTemperature(SU2Driver, marker_ids): + """Applies an isothermal wall boundary condition on a specific wall""" + for marker_id in marker_ids: + if marker_id < 0: + continue + allCoords = SU2Driver.Coordinates() + # the top horizontal wall is 1200K, but the vertical side wall goes from 1200K down to 700K + # to match the inlet pipe temperature (which has zero heat flux BC) + for i_vertex in range(driver.GetNumberMarkerNodes(marker_id)): + i_point = SU2Driver.GetMarkerNode(marker_id, i_vertex) + coord = allCoords.Get(i_point) + Tw = 673 + 500.0 * (coord[1]-0.0125)/0.025 + driver.SetMarkerCustomTemperature(marker_id, i_vertex, hf) +``` +And in the config file, we simply add +``` +MARKER_PYTHON_CUSTOM= (wall_top, wall_side ) +``` + +The wall temperature is now a function of the vertical coordinate y. + -Also note that we clip the species between [0,1]. Sometimes this clipping is necessary on coarse grids. 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