Difference between revisions of "Inputs"

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Every key words are contained in the file "condition.cpp", this is where you specify the characteristics of your flame and the ORCh step you want to run.
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=== General keywords ===
  
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First, you choose the studied combustion regime (premixed flame, auto-ignition ou multiple Inlet regime)
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All the necessary key words are contained in the file "input_file.ini", this is where you specify the characteristics of your flame and the ORCh step you want to run.
  
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<code>
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First, you choose the studied combustion regime (premixed flame, auto-ignition ou multiple Inlet regime) with the key word "configuration".
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configuration = "studied regime";
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</code>
+
  
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Then, the ORCh step you want to perform ([[DRGEP|DRGEP_species]], DRGEP_reactions, ComputeTrajectories, computeQSSCriteria, getQSSfile, getQSSfileFORTRAN, Optimisation, or Lumping)
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Then, the ORCh step you want to perform ([[DRGEP|DRGEP_species]], DRGEP_reactions, ComputeTrajectories, computeQSSCriteria, getQSSfile, getQSSfileFORTRAN, Optimisation, or Lumping) with the key word "step".
  
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<code>
 
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step = "chosen step";
 
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</code>
 
  
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The detailed chemical scheme contained in mechanisms/
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The reference chemical scheme (key word mech_ref) (by default it is the scheme "mech" from which the user begins the step) and his associated trajectory file  (key word : trajectory_ref) are optional.
  
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<code>
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Note that mech_ref and trajectory_ref are optional and useful only if the user wants to plot and calculate the fitness with other reference schemes than the default one. To use the default one, put "mech_ref = None"
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mech_ref = "mechanims/detailed scheme in xml";
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</code>
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Finally the reference scheme of the current step, also found in the repertory mechanism, depends on the step, and the mechanism description (doesn't change through the ORCh steps) :
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The reference scheme (mech) of the current step, and the mechanism description (mech_desc) (the mech_desc doesn't change through the ORCh steps and corresponds to the id of the mechanism) :
  
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<code>
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The level of debug wanted (generally 1)
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mech = "mechanims/current chemical scheme in xml";
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mech_desc = "mechanism description";
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</code> 
+
  
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=== Premixed flame ===
 
  
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If you want to reduce schemes for premix flames, firstly you will run a flame with the following inputs :
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The species trajectories and/or the temperature and the flame speed (in Premixed configuration) the user wants to vizualise during the step (key word speciesToPlot).
  
 +
Also if you want to plot the temperature and the flame velocity :
 +
plot_T = 1 or 0 //temperature plot
 +
plot_U = 1 or 0 //flame speed plot
  
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  configuration = "PremixedFlames";
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Then you define your target species with the key word "Target".
  
 +
=== Premixed flame ===
  
 +
If you want to reduce schemes for premixed flames, firstly you will run a flame with the following inputs :
  
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listFlames.push_back(new PremixedFlames( fuel temperature, oxider temperature, pressure, ratio, Yf, Xf, Yo, Xo, path of the reference flame, path of the new flame));
 
  
 +
configuration = PremixedFlames
  
  
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In order to converge faster, you have to indicate a reference flame with characteristics close to the ones you want to run
 
  
 +
//Flame 0
 +
Tf =    //fuel temperature
 +
To =  //oxidiser temperature
 +
Pressure =
 +
Equivalence_ratio =
 +
Xf =  //fuel molar composition
 +
Xo = //oxidiser molar composition
 +
Initial_flame =
 +
Final_flame =
  
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Then you define your target species :
 
  
 +
In order to converge faster, you have to indicate a reference flame with characteristics close to the ones you want to run.
  
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listTargets.push_back("species 1");
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Note that you can perform the steps on several premixed flames, by adding more flames and the associated reference trajectories in the same order.
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listTargets.push_back("species 2");
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listTargets.push_back("species 3");
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...
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and so on.
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//Flame 0
 +
...
  
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Concerning the QSS part, you have to fill a vector with
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//Flame 1
 +
...
  
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  trajectory_ref = ...
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  string array1[] = {}
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  trajectory_ref = ...
  
 
=== Multiple Inlet ===
 
=== Multiple Inlet ===
Line 64: Line 65:
  
  
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  //Inlet i
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  //Inlet i
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  listInlets.push_back(new MultipleInlet(
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  new Inlet i
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                "Temperature",
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  T =
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                "Pressure",
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  Pressure =
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                "Mass flow rate",
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  MassFlowRate =
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                "Xk",
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  Xk =
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                "Yk",
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  EvaporationModel = false or true (0 or 1)
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                /**/,
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  DropletDiameter =
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                /**/,
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  EvaporationTime =
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                /**/,
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  liquidDensity =
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                /**/,
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  EvaporationLatentHeat =
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                /**/));
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//EndInlet
  
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Also, target species must be specified :
 
  
  
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  listTargets.push_back("species 1");
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Other parameters are necessary :
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  listTargets.push_back("species 2");
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   listTargets.push_back("species 3");
+
 
 +
NewMixing =
 +
 
 +
which determine if the mixing of the fluid particles is new or set from a previous mixing. For the first step of the analysis, this parameter is set to true, and false for all the other steps of the study, so the random mixing of the first step is re-used for the other ones.
 +
 
 +
MixingModel =
 +
 
 +
two mixing models are available, "Curl" and "EMST" model.
 +
It is also mandatory to specify the characteristic mixing time, the simulation time step and the wanted iteration number :
 +
 
 +
  MixingTime =
 +
  TimeStep =
 +
  IterationNumber =
 +
 
 +
The soot model (HYPE) can also be activated with the following parameters :
 +
 
 +
  sootModel = 0 (deactivated) or 1 (activated)
 +
  limiteYA4 =
 +
 
 +
If the soot model is activated, it will be in every fluid particle with a pyrene mass fraction superior to the "limitYA4"
 +
 
 +
=== QSS and optimisation key words ===
 +
 
 +
 
 +
Concerning the QSS part, the user have to indicate the species put in QSS assumption.
 +
 +
   //------QSS Scenarios------//
 +
 
 +
  QSS =
 +
  QSS =
 +
    ...
  
  
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One last parameter is necessary :
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For the optimisation step, the user must indicate the size of the population at each generation, the number of generation that will be calculated, the number of the best solutions to copy generation to generation, the cross and mutation rate (best let to 0.75 and 0.02) and finally the allowed variation on the Arrhenius factors.
  
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    //------Optimisation------//
  
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new_mixing = "true or false"
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 +
  PopSize =  
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  MaxAllowableGenerations =
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  NbElitism = 1
  
 +
  CrossoverRate = 0.75
 +
  MutationRate = 0.02
  
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which determine if all the fluid particles are mixed or not. For the first step of the analysis, this parameter is set to true, and false for all the other steps of the study, so the random mixing of the first step is re-used for the other ones.
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We recommend to keep the mutation and crossover rates by default.
  
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=== Auto ignition ===
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  AllowedVariation_A =  
 +
  AllowedVariation_b =  
 +
  AllowedVariation_E =

Latest revision as of 08:13, 26 May 2021

General keywords

All the necessary key words are contained in the file "input_file.ini", this is where you specify the characteristics of your flame and the ORCh step you want to run.

First, you choose the studied combustion regime (premixed flame, auto-ignition ou multiple Inlet regime) with the key word "configuration".

Then, the ORCh step you want to perform (DRGEP_species, DRGEP_reactions, ComputeTrajectories, computeQSSCriteria, getQSSfile, getQSSfileFORTRAN, Optimisation, or Lumping) with the key word "step".


The reference chemical scheme (key word mech_ref) (by default it is the scheme "mech" from which the user begins the step) and his associated trajectory file (key word : trajectory_ref) are optional.

Note that mech_ref and trajectory_ref are optional and useful only if the user wants to plot and calculate the fitness with other reference schemes than the default one. To use the default one, put "mech_ref = None"

The reference scheme (mech) of the current step, and the mechanism description (mech_desc) (the mech_desc doesn't change through the ORCh steps and corresponds to the id of the mechanism) :

The level of debug wanted (generally 1)


The species trajectories and/or the temperature and the flame speed (in Premixed configuration) the user wants to vizualise during the step (key word speciesToPlot).

Also if you want to plot the temperature and the flame velocity : 

plot_T = 1 or 0 //temperature plot
plot_U = 1 or 0 //flame speed plot

Then you define your target species with the key word "Target".

Premixed flame

If you want to reduce schemes for premixed flames, firstly you will run a flame with the following inputs : 


configuration = PremixedFlames



//Flame 0
Tf =    //fuel temperature
To =   //oxidiser temperature
Pressure =
Equivalence_ratio = 
Xf =  //fuel molar composition
Xo = //oxidiser molar composition
Initial_flame =
Final_flame =


In order to converge faster, you have to indicate a reference flame with characteristics close to the ones you want to run.

Note that you can perform the steps on several premixed flames, by adding more flames and the associated reference trajectories in the same order. 


//Flame 0
...

//Flame 1
...

trajectory_ref = ...
trajectory_ref = ...

Multiple Inlet

Concerning this regime, as many inlets as needed can be added with the following characteristics : 


 //Inlet i
 new Inlet i
 T = 
 Pressure = 
 MassFlowRate = 
 Xk = 
 EvaporationModel = false or true (0 or 1)
 DropletDiameter = 
 EvaporationTime = 
 liquidDensity = 
 EvaporationLatentHeat = 
//EndInlet


Other parameters are necessary : 


NewMixing =

which determine if the mixing of the fluid particles is new or set from a previous mixing. For the first step of the analysis, this parameter is set to true, and false for all the other steps of the study, so the random mixing of the first step is re-used for the other ones. 

MixingModel =

two mixing models are available, "Curl" and "EMST" model. It is also mandatory to specify the characteristic mixing time, the simulation time step and the wanted iteration number : 

 MixingTime = 
 TimeStep = 
 IterationNumber =

The soot model (HYPE) can also be activated with the following parameters : 

 sootModel = 0 (deactivated) or 1 (activated)
 limiteYA4 =

If the soot model is activated, it will be in every fluid particle with a pyrene mass fraction superior to the "limitYA4"

QSS and optimisation key words

Concerning the QSS part, the user have to indicate the species put in QSS assumption. 

  //------QSS Scenarios------//

  QSS = 
  QSS = 
   ...


For the optimisation step, the user must indicate the size of the population at each generation, the number of generation that will be calculated, the number of the best solutions to copy generation to generation, the cross and mutation rate (best let to 0.75 and 0.02) and finally the allowed variation on the Arrhenius factors. 

   //------Optimisation------//



 PopSize = 
 MaxAllowableGenerations = 
 NbElitism = 1

 CrossoverRate = 0.75
 MutationRate = 0.02

We recommend to keep the mutation and crossover rates by default. 

 AllowedVariation_A = 
 AllowedVariation_b = 
 AllowedVariation_E =
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