This tool essentially wraps the Mutation++ library to provide equilibrium properties for mixtures over a range of temperatures and/or pressures. This is similar to tools like NASA's CEA.
mppequil [OPTIONS] mixture
Compute equilibrium properties for mixture over a set of temperatures and pressures using the Mutation++ library.
-h, --help prints this help message
--no-header no table header will be printed
-T temperature range in K "T1:dT:T2" or simply T (default = 300:100:15000 K)
-P pressure range in Pa "P1:dP:P2" or simply P (default = 1 atm)
-B magnitude of the magnetic field in teslas (default = 0 T)
-m list of mixture values to output (see below)
-s list of species values to output (see below)
-r list of reaction values to output (see below)
-o list of other values to output (see below)
--species-list instead of mixture name, use this to list species in mixture
--elem-x set elemental mole fractions (ex: N:0.8,O:0.2)
--elem-comp set elemental composition with a name from the mixture file
--thermo-db overrides thermodynamic database type (NASA-7, NASA-9, RRHO)
--scientific outputs in scientific format with given precision
Mixture values (example format: "1-3,7,9-11"):
0 : Th [K] heavy particle temperature
1 : P [Pa] pressure
2 : B [T] magnitude of magnetic field
3 : rho [kg/m^3] density
4 : nd [1/m^3] number density
5 : Mw [kg/mol] molecular weight
6 : Cp_eq [J/mol-K] equilibrium specific heat at constant pressure
7 : H [J/mol] mixture enthalpy
8 : S [J/mol-K] entropy
9 : Cp_eq [J/kg-K] equilibrium specific heat at constant pressure
10: H [J/kg] mixture enthalpy
11: H-H0 [J/kg] mixture enthalpy minus the enthalpy at 0K
12: S [J/kg-K] entropy
13: Cv_eq [J/kg-K] equilibrium specific heat at constant volume
14: Cp [J/mol-K] frozen specific heat at constant pressure
15: Cv [J/mol-K] frozen specific heat at constant volume
16: Cp [J/kg-K] frozen specific heat at constant pressure
17: Cv [J/kg-K] frozen specific heat at constant volume
18: gam_eq [-] equilibrium ratio of specific heats
19: gamma [-] frozen ratio of specific heat
20: Ht [J/mol] translational enthalpy
21: Hr [J/mol] rotational enthalpy
22: Hv [J/mol] vibrational enthalpy
23: Hel [J/mol] electronic enthalpy
24: Hf [J/mol] formation enthalpy
25: Ht [J/kg] translational enthalpy
26: Hr [J/kg] rotational enthalpy
27: Hv [J/kg] vibrational enthalpy
28: Hel [J/kg] electronic enthalpy
29: Hf [J/kg] formation enthalpy
30: e [J/mol] mixture energy
31: e [J/kg] mixture energy
32: mu [Pa-s] dynamic viscosity
33: lambda [W/m-K] mixture equilibrium thermal conductivity
34: lam_reac [W/m-K] reactive thermal conductivity
35: lam_bb [W/m-K] Butler-Brokaw reactive thermal conductivity
36: lam_soret [W/m-K] Soret thermal conductivity
37: lam_int [W/m-K] internal energy thermal conductivity
38: lam_h [W/m-K] heavy particle translational thermal conductivity
39: lam_e [W/m-K] electron translational thermal conductivity
40: sigma [S/m] electric conductivity (B=0)
41: a_f [m/s] frozen speed of sound
42: a_eq [m/s] equilibrium speed of sound
43: Eam [V/K] ambipolar electric field (SM Ramshaw)
44: drho/dP [kg/J] equilibrium density derivative w.r.t pressure
Species values (same format as mixture values):
0 : X [-] mole fractions
1 : dX/dT [1/K] partial of mole fraction w.r.t. temperature
2 : Y [-] mass fractions
3 : rho [kg/m^3] mass densities
4 : conc [mol/m^3] molar concentrations
5 : Cp [J/mol-K] specific heats at constant pressure
6 : H [J/mol] enthalpies
7 : S [J/mol-K] entropies
8 : G [J/mol] Gibbs free energies
9 : Cp [J/kg-K] specific heats at constant pressure
10: H [J/kg] enthalpies
11: S [J/kg-K] entropies
12: G [J/kg] Gibbs free energies
13: J [kg/m^2-s] Species diffusion fluxes (SM Ramshaw)
14: omega [kg/m^3-s] production rates due to reactions
15: Omega11 [m^2] (1,1) pure species collision integrals
16: Omega22 [m^2] (2,2) pure species collision integrals
17: Chi^h [-] heavy thermal diffusion ratios
18: Dm [m^2/s] mixture averaged diffusion coefficients
Reaction values (same format as mixture values):
0 : kf [mol,m,s,K] forward reaction rate coefficients
1 : kb [mol,m,s,K] backward reaction rate coefficients
Other values (same format as mixture values):
0 : Dij [m^2/s] multicomponent diffusion coefficients
1 : pi_i [-] element potentials
2 : N_p [mol] phase moles
3 : iters [-] number of continuation step iterations
4 : newts [-] total number of newton iterations
5 : Fp_k [kg/m-Pa-s] elemental diffusion fluxes per pressure gradient
6 : Ft_k [kg/m-K-s] elemental diffusion fluxes per temperature gradient
7 : Fz_k [kg/m-s] elemental diffusion fluxes per element mole fraction gradient
8 : sigmaB [S/m] anisotropic electric conductivity
9 : lamB_e [W/m-K] anisotropic electron thermal conductivity
Example:
mppequil -T 300:100:15000 -P 101325 -m 1-3,8 air11