Documentation du code de simulation numérique SUNFLUIDH

This data setup is only used in the full version of sunfluidh for the simulation of multi-species gas flows under low-Mach number hypothesis. It is used to define every thermo-chemical properties of species to estimate physical properties of gas mixture such as heat capacity, thermal conductivity, transport coefficients of diffusion, …. Most of data are directly initialized with a default value that could be used by the code if these ones are not set a value specified by the user.
Data could be used or not, this depends on the context. For this reason, useless data could be omitted in the data setup.
The user must therefore ensure that every useful data are explicitly stated in the input3d.dat file unless he is sure that the default values are correct (if there is any doubt, you can check the file named “check_namelist_data.dat”).
An example on a Helium/Air mixture is given here for helping the user about this data set.

 &Species_Properties
          Species_Name          = "He" ,
          Species_molecular_Mass= 4.0D-03 , Reference_Molecular_Heat_Capacity = 5.193D+03 , Schmidt_Number         = 1.0 ,
          Electric_Charge       = 0 ,       Lennard_Jones_Diameter            = 2.576D-10 , Lennard_Jones_Potential=  10.20 ,
          Thermochemical_Properties_Coefficients(1:7,1) = 2.50000000E+00  0.00000000E-00  0.00000000E-00  0.00000000E-00  0.00000000E-00  2.85315086E+05 1.62166556E+00 ,
          Thermochemical_Properties_Coefficients(1:7,2) = 2.50000000E+00  0.00000000E-00  0.00000000E-00  0.00000000E-00  0.00000000E-00  2.85315086E+05 1.62166556E+00 /
 &Species_Properties
          Species_Name          = "Air" ,
          Species_molecular_Mass= 2.9D-02 , Reference_Molecular_Heat_Capacity = 1.048D+03 , Schmidt_Number         = 1.0 ,
          Electric_Charge       = 0 ,       Lennard_Jones_Diameter            = 3.711D-10 , Lennard_Jones_Potential=  97.60 ,
          Thermochemical_Properties_Coefficients(1:7,1) = 0.03298677E+02 0.14082404E-02 -0.03963222E-04 0.05641515E-07 -0.02444854E-10 -0.10208999E+04 0.03950372E+02 ,
          Thermochemical_Properties_Coefficients(1:7,2) = 0.02926640E+02 0.14879768E-02 -0.05684760E-05 0.10097038E-09 -0.06753351E-13 -0.09227977E+04 0.05980528E+02 ,
          End_of_Data_Block= .true./

The Thermochemical_Properties_Coefficients are provided by the Chemkin data base.

• type : character string with a maximum size of 6
• Name of the species present in the gas mixture
• Default name given by the user.

• type : real value
• Molecular mass (mol/kg)
• Default value given by the user

• type : real value
• Species heat capacity (J/K/kg)
• Default value given by the user

• type : real value
• The Schmidt number $Sch$ is used to define the diffusion coefficient of the species from the kinematic viscosity as $D_i=\nu/Sch$.
  This definition is enabled only when the data “Multi_Species_Mixture_Law_for_Mass_Diffusion_Enabled = .false.” (coming from the namelist “Fluid_Properties”).
• Default value given by the user

• type : real value
• Electric charge of the ionized species in electronic unit
• Used only if chemical reactions are implied.
• Default value given by the user

• type : real value
• Diameter of Lennard-Jones (m)
• Default value given by the user

• type : real value
• Potential of Lennard-Jones (dimensionless)
• Default value given by the user

• type : real array - size array (7,2)
• These coefficients are used to define some physical quantities such as enthalpy, entropy, heat capacity, free enthalpy of species in respect with the temperature.
• This data setup is an array of size (7,2) , The first dimension corresponds to the number of coefficients considered (here 7) and the second to the number of temperature ranges considered (here 2).
  • The 1st range of T is 300K —> 1000K
  • The 2nd range of T is 1000K —> 5000K
• The coefficients come from the Chemkin data base.

• type : boolean value
• Specify the end of the data setup constituted by one or several namelist “Species_Properties”.