[Doc] Describe Peng-Robinson input parameters

Also link from phase thermo model to species thermo model for
Peng-Robinson and Redlich-Kwong models.
This commit is contained in:
Ray Speth
2023-01-21 19:44:01 -05:00
committed by Ray Speth
parent 633e5d285f
commit 7f73505ef6
2 changed files with 53 additions and 15 deletions

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@@ -857,7 +857,7 @@ A multi-species Redlich-Kwong phase as
`described here <https://cantera.org/documentation/dev/doxygen/html/d6/d29/classCantera_1_1RedlichKwongMFTP.html#details>`__.
The parameters for each species are contained in the corresponding species
entries.
entries. See :ref:`Redlich-Kwong species equation of state <sec-yaml-eos-redlich-kwong>`.
.. _sec-yaml-Peng-Robinson:
@@ -868,7 +868,7 @@ A multi-species Peng-Robinson phase as
`described here <https://cantera.org/documentation/dev/doxygen/html/d3/ddc/classCantera_1_1PengRobinson.html#details>`__.
The parameters for each species are contained in the corresponding species
entries.
entries. See :ref:`Peng-Robinson species equation of state <sec-yaml-eos-peng-robinson>`.
.. _sec-yaml-plasma:

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@@ -245,6 +245,21 @@ Example::
data: {298.15: -91.50963, 333.15: -85.0}
.. _sec-yaml-species-crit-props:
Species critical state parameters
=================================
``critical-temperature``
The critical temperature of the species [K]
``critical-pressure``
The critical pressure of the species [Pa]
``acentric-factor``
Pitzer's acentric factor :math:`omega` [-]
.. _sec-yaml-species-eos:
Species equation of state models
@@ -261,21 +276,9 @@ Species equation of state models
- :ref:`ions-from-neutral-molecule <sec-yaml-eos-ions-from-neutral>`
- :ref:`liquid-water-IAPWS95 <sec-yaml-eos-liquid-water-iapws95>`
- :ref:`molar-volume-temperature-polynomial <sec-yaml-eos-molar-volume-temperature-polynomial>`
- :ref:`Peng-Robinson <sec-yaml-eos-peng-robinson>`
- :ref:`Redlich-Kwong <sec-yaml-eos-redlich-kwong>`
.. _sec-yaml-species-crit-props:
Species critical state parameters
=================================
``critical-temperature``
The critical temperature of the species.
``critical-pressure``
The critical pressure of the species.
``acentric-factor``
Pitzer's acentric factor :math:`omega`.
.. _sec-yaml-eos-constant-volume:
@@ -418,6 +421,41 @@ Additional fields:
``data``
Vector of 4 coefficients for a cubic polynomial in temperature
.. _sec-yaml-eos-peng-robinson:
Peng-Robinson
-------------
A model where species follow the Peng-Robinson equation of state as
`described here <https://cantera.org/documentation/dev/doxygen/html/d3/ddc/classCantera_1_1PengRobinson.html#details>`__.
Additional fields:
``a``
Pure-species ``a`` coefficient [Pa*m^6/kmol^2]
``b``
Pure-species ``b`` coefficient [m^3/kmol]
``acentric-factor``
Pitzer's acentric factor [-]
``binary-a``
Optional mapping where the keys are species names and the values are the ``a``
coefficients for binary interactions between the two species.
Example::
equation-of-state:
model: Peng-Robinson
units: {length: cm, quantity: mol}
a: 5.998873E+11
b: 18.9714
acentric-factor: 0.344
binary-a:
H2: 4 bar*cm^6/mol^2
CO2: 7.897e7 bar*cm^6/mol^2
.. _sec-yaml-eos-redlich-kwong: