Command line tools

Terminal commands are available for common use cases.

gasout

This command is a pre-processing tool built on top of the ms-thermo package. It modifies the state of a mixture in specific regions of the domain. This is the default input file demonstrating the actions that are available.

# Input files
inst_solut: ./solut_0003.sol.h5
mesh: ./solut_0003.mesh.h5
inst_solut_output: ./gasouted.sol.h5

# Actions to take
actions:
- type: directional_linear_mask
  direction: "x"           # Direction x, y, or z
  transition_start: 0.1
  transition_end: 0.11
  new_pressure: null       # Use null if you don't want to edit this field
  new_temperature: 2000.0  # Temperature in K
  new_yk: null

- type: spherical_tanh_mask
  center: [0.1, 0.1, 0]    # Center of the sphere
  radius: 0.01             # Radius of the sphere [m]
  delta: 0.05              # Transition thickness [m]
  new_pressure: null
  new_temperature: 1600.
  new_yk:                  # Dictionary of species Yk
    N2: 0.8                # Order does not matter
    O2: 0.2                # Sum MUST be 1!

- type: fraction_z_mask
  specfuel: KERO_LUCHE     # Fuel species name
  atom_ref: C              # Reference atom for Z computation (default: 'C')
  oxyd_mass_fracs:         # Mixture oxidizer for Z computation (default: AIR)
    O2: 0.233
    N2: 0.767
  fuel_mass_fracs:  None   # Mixture fuel (default: mixture at peak fuel concentration)
  zmax: 0.02
  zmin: 0.01
  new_pressure: 103000.0   # Pressure in Pa
  new_temperature: null
  new_yk: null

- type: fraction_z_mask    # You can repeat several treatments
  specfuel: KERO_LUCHE
  atom_ref: C
  oxyd_mass_fracs:
    O2: 0.233
    N2: 0.767
  fuel_mass_fracs:  None
  zmax: 0.05
  zmin: 0.04
  new_pressure: 103000.0
  new_temperature: null
  new_yk: null

This default input file is generated when calling ms_thermo gasout --new foo.yml. From an input YAML file, run the tool with ms_thermo gasout foo.yml.

hp-equil

Compute the adiabatic flame temperature and mass fractions using a CANTERA .cti file.

>ms_thermo hp-equil 300 101325 1 NC10H22 10 22 src/ms_thermo/INPUT/Luche1.cti

The adiabatic flame temperature of a mix NC10H22-air from cantera is : 2277.42 K.

Species     |    Mass fraction
------------------------------
CO          |       0.014
CO2         |       0.172
H2O         |       0.084
N2          |       0.718
NO          |       0.003
O2          |       0.007
OH          |       0.002
+ 82 others |       0.000

Warning

This command requires the Cantera package.

kero-prim2cons

Compute the conservative variables of a kerosene-air mixture from primitive variables T, P and phi (equivalence ratio).

>ms_thermo kero-prim2cons 300 101325 1

rho       |  1.232 kg/m3
rhoE      |  266054.682 J.kg/m3
rhoYk     |
 KERO     |  0.077 mol.kg/m3
 N2       |  0.886 mol.kg/m3
 O2       |  0.269 mol.kg/m3
------------------------------
Yk        |
 KERO     |  0.063 [-]
 N2       |  0.719 [-]
 O2       |  0.218 [-]

kero-tadia

Compute the final adiabatic temperature of a kerosene-air mixture from T, P and phi (equivalence ratio) It is based on tabulation created using Cantera.

>ms_thermo kero-tadia 300 101325 0.7

The adiabatic flame temperature of a mix C10H22-air from tables is : 1904.30 K.

Species     |    Mass fraction
------------------------------
N2          |       0.732
KERO        |       0.000
O2          |       0.067
CO2         |       0.143
H2O         |       0.058

yk-from-phi

Compute species mass fractions of a hydrocarbon fuel-air mixture. Inputs are the equivalence ratio and the numbers of C and H atoms in the fuel.

>ms_thermo yk-from-phi 0.7 1 4 CH4

Species     |    Mass fraction
------------------------------
CH4         |       0.078
N2          |       0.707
O2          |       0.215