diff --git a/doc/sphinx/cti/phases.rst b/doc/sphinx/cti/phases.rst index d08dfc36f..e65070b00 100644 --- a/doc/sphinx/cti/phases.rst +++ b/doc/sphinx/cti/phases.rst @@ -278,10 +278,12 @@ Using the ``options`` field, it is possible to extract a sub-mechanism from a la reaction mechanism, as follows:: ideal_gas(name = 'hydrogen_mech', - species = 'gri30: all', + elements = 'H O', + species = 'gri30:all', reactions = 'gri30:all', options = ('skip_undeclared_elements', - 'skip_undeclared_species')) + 'skip_undeclared_species', + 'skip_undeclared_third_bodies')) If we import this into Matlab, for example, we get a gas mixture containing the 8 species (out of 53 total) that contain only H and O: @@ -290,53 +292,64 @@ If we import this into Matlab, for example, we get a gas mixture containing the >> gas = importPhase('gas.cti', 'hydrogen_mech') - temperature 300 K - pressure 1237.28 Pa - density 0.001 kg/m^3 - mean mol. weight 2.01588 amu + hydrogen_mech: - X Y - ------------ ------------ - H2 1.000000e+00 1.000000e+00 - H 0.000000e+00 0.000000e+00 - O 0.000000e+00 0.000000e+00 - O2 0.000000e+00 0.000000e+00 - OH 0.000000e+00 0.000000e+00 - H2O 0.000000e+00 0.000000e+00 - HO2 0.000000e+00 0.000000e+00 - H2O2 0.000000e+00 0.000000e+00 + temperature 0.001 K + pressure 0.00412448 Pa + density 0.001 kg/m^3 + mean mol. weight 2.01588 amu + + 1 kg 1 kmol + ----------- ------------ + enthalpy -3.786e+006 -7.632e+006 J + internal energy -3.786e+006 -7.632e+006 J + entropy 6210.88 1.252e+004 J/K + Gibbs function -3.786e+006 -7.632e+006 J + heat capacity c_p 9669.19 1.949e+004 J/K + heat capacity c_v 5544.7 1.118e+004 J/K + + X Y Chem. Pot. / RT + ------------- ------------ ------------ + H2 1 1 -917934 + H 0 0 + O 0 0 + O2 0 0 + OH 0 0 + H2O 0 0 + HO2 0 0 + H2O2 0 0 >> eqs = reactionEqn(gas) eqs = '2 O + M <=> O2 + M' - 'O + H + M <=> OH + M' - 'O + H2 <=> H + OH' - 'O + HO2 <=> OH + O2' - 'O + H2O2 <=> OH + HO2' - 'H + O2 + M <=> HO2 + M' - 'H + 2 O2 <=> HO2 + O2' - 'H + O2 + H2O <=> HO2 + H2O' - 'H + O2 <=> O + OH' - '2 H + M <=> H2 + M' - '2 H + H2 <=> 2 H2' - '2 H + H2O <=> H2 + H2O' - 'H + OH + M <=> H2O + M' - 'H + HO2 <=> O + H2O' - 'H + HO2 <=> O2 + H2' - 'H + HO2 <=> 2 OH' - 'H + H2O2 <=> HO2 + H2' - 'H + H2O2 <=> OH + H2O' - 'OH + H2 <=> H + H2O' - '2 OH (+ M) <=> H2O2 (+ M)' - '2 OH <=> O + H2O' - 'OH + HO2 <=> O2 + H2O' - 'OH + H2O2 <=> HO2 + H2O' - 'OH + H2O2 <=> HO2 + H2O' - '2 HO2 <=> O2 + H2O2' - '2 HO2 <=> O2 + H2O2' - 'OH + HO2 <=> O2 + H2O' + 'O + H + M <=> OH + M' + 'O + H2 <=> H + OH' + 'O + HO2 <=> OH + O2' + 'O + H2O2 <=> OH + HO2' + 'H + O2 + M <=> HO2 + M' + 'H + 2 O2 <=> HO2 + O2' + 'H + O2 + H2O <=> HO2 + H2O' + 'H + O2 <=> O + OH' + '2 H + M <=> H2 + M' + '2 H + H2 <=> 2 H2' + '2 H + H2O <=> H2 + H2O' + 'H + OH + M <=> H2O + M' + 'H + HO2 <=> O + H2O' + 'H + HO2 <=> O2 + H2' + 'H + HO2 <=> 2 OH' + 'H + H2O2 <=> HO2 + H2' + 'H + H2O2 <=> OH + H2O' + 'OH + H2 <=> H + H2O' + '2 OH (+ M) <=> H2O2 (+ M)' + '2 OH <=> O + H2O' + 'OH + HO2 <=> O2 + H2O' + 'OH + H2O2 <=> HO2 + H2O' + 'OH + H2O2 <=> HO2 + H2O' + '2 HO2 <=> O2 + H2O2' + '2 HO2 <=> O2 + H2O2' + 'OH + HO2 <=> O2 + H2O' Ideal Gas Mixtures ------------------ @@ -351,13 +364,13 @@ them. It supports all of the options in the widely-used model described by Kee et al. [#Kee1989]_, plus some additional options for species thermodynamic properties and reaction rate expressions. -An example of an ideal_gas entry is shown below:: +An example of an ``ideal_gas`` entry is shown below:: ideal_gas(name='air8', elements='N O Ar', species='gri30: N2 O2 N O NO NO2 N2O AR', reactions='all', - transport='mix', + transport='Mix', initial_state=state(temperature=500.0, pressure=(1.0, 'atm'), mole_fractions='N2:0.78, O2:0.21, AR:0.01'))