Namelist "Species_Properties"

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. Otherwise it can be omitted.
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, ….
Data could be used or not, this depends on the context.
Not for the release SUNFLUIDH_EDU .

Full data set of the namelist

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. Don't forget to set the variable End_Of_Data_Block to .true. in the last namelist.

Definition of the data set

Species_Name

type : character string with a maximum size of 6

Name of the species present in the gas mixture

Default name given by the user.

Species_molecular_Mass

type : real value

Molecular mass (mol/kg)

Default value given by the user

Reference_Molecular_Heat_Capacity

type : real value

Species heat capacity (J/K/kg)

Default value given by the user

Schmidt_Number

type : real value

The Schmidt number is used to define the diffusion coefficient of the species from the kinematic viscosity as .
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

Electric_Charge

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

Lennard_Jones_Diameter

type : real value

Diameter of Lennard-Jones (m)

Default value given by the user

Lennard_Jones_Potential

type : real value

Potential of Lennard-Jones (dimensionless)

Default value given by the user

Thermochemical_Properties_Coefficients

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.

If we note the coefficients that belong to a specific temperature range, we read (with the universal gas constant):

The species heat capacity :

The species enthalpy :

The species entropy :

End_of_Data_Block

type : boolean value

Specify the end of the data set constituted by one or several namelist “Species_Properties”.