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[Doc] Fix examples in phases.rst to work with Cantera 2.1

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See Issue 196.
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Bryan W. Weber 2013-12-18 17:46:00 +00:00
parent 5bbe9a6a22
commit 87e48fdb6a
1 changed files with 57 additions and 44 deletions
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101
doc/sphinx/cti/phases.rst
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@ -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'))