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Added references to the "Defining Phases" documentation

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Ray Speth 2012-04-04 18:45:20 +00:00
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19
doc/sphinx/cti/phases.rst
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@ -338,8 +338,8 @@ Many combustion and CVD simulations make use of reacting ideal gas
mixtures. These can be defined using the :class:`ideal_gas` entry. The Cantera
ideal gas model allows any number of species, and any number of reactions among
them. It supports all of the options in the widely-used model described by Kee
et al. [1989], plus some additional options for species thermodynamic properties
and reaction rate expressions.
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::
@ -365,7 +365,7 @@ Transport Models
Two transport models are available for use with ideal gas mixtures. The first is
a multicomponent transport model that is based on the model described by
Dixon-Lewis [1968] (see also Kee et al. [2003]). The second is a model that uses
Dixon-Lewis [#dl68]_ (see also Kee et al. [#Kee2003]_). The second is a model that uses
mixture rules. To select the multicomponent model, set the transport field to
the string ``'multi'``, and to select the mixture-averaged model, set it to the
string ``'mix'``::
@ -464,3 +464,16 @@ The :class:`state` entry
The initial state of either a phase or an interface may be set using an embedded
:class:`state` entry. Note that only one of (``pressure``, ``density``) may be
specified, and only one (``mole_fractions``, ``mass_fractions``, ``coverages``).
.. rubric:: References
.. [#Kee1989] R. J. Kee, F. M. Rupley, and J. A. Miller. Chemkin-II: A Fortran
chemical kinetics package for the analysis of gasphase chemical
kinetics. Technical Report SAND89-8009, Sandia National Laboratories, 1989.
.. [#dl68] G. Dixon-Lewis. Flame structure and flame reaction kinetics,
II: Transport phenomena in multicomponent systems. *Proc. Roy. Soc. A*,
307:111--135, 1968.
.. [#Kee2003] R. J. Kee, M. E. Coltrin, and P. Glarborg. *Chemically Reacting
Flow: Theory and Practice*. John Wiley and Sons, 2003.

35
doc/sphinx/cti/reactions.rst
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@ -139,7 +139,7 @@ Reactions with Pressure-Independent Rate
The :class:`reaction` entry is used to represent homogeneous reactions with
pressure-independent rate coefficients and mass action kinetics. Examples of
reaction entries that implement some reactions in the GRI-Mech 3.0 natural gas
combustion mechanism [Smith et al., 1997] are shown below::
combustion mechanism [#Smith1997]_ are shown below::
units(length = 'cm', quantity = 'mol', act_energy = 'cal/mol')
...
@ -215,7 +215,7 @@ increases. Dissociation / association reactions of polyatomic molecules often
exhibit this behavior.
The simplest expression for the rate coefficient for a falloff reaction is the
Lindemann form [Lindemann, 1922]:
Lindemann form [#Lindemann1922]_:
.. math::
@ -251,7 +251,8 @@ specified by assigning an embedded entry to the ``falloff`` field.
The Troe Falloff Function
-------------------------
A widely-used falloff function is the one proposed by Gilbert et al. [1983]:
A widely-used falloff function is the one proposed by Gilbert et
al. [#Gilbert1983]_:
.. math::
@ -272,10 +273,10 @@ The SRI Falloff Function
------------------------
This falloff function is based on the one originally due to Stewart et
al. [1989], which required three parameters :math:`(a, b, c)`. Kee et al. [1989]
generalized this function slightly by adding two more parameters :math:`(d,
e)`. (The original form corresponds to :math:`d = 1, e = 0`.) Cantera supports
the extended 5-parameter form, given by:
al. [#Stewart1989]_, which required three parameters :math:`(a, b, c)`. Kee et
al. [#Kee1989]_ generalized this function slightly by adding two more parameters
:math:`(d, e)`. (The original form corresponds to :math:`d = 1, e = 0`.) Cantera
supports the extended 5-parameter form, given by:
.. math::
@ -288,3 +289,23 @@ the "SRI" falloff function. It is implemented by the :class:`SRI` directive.
function, which has a C++ implementation, but doesn't appear to be implemented
in the CTI or CTML parsers.
.. rubric:: References
.. [#Gilbert1983] R. G. Gilbert, K. Luther, and
J. Troe. *Ber. Bunsenges. Phys. Chem.*, 87:169, 1983.
.. [#Lindemann1922] F. Lindemann. *Trans. Faraday Soc.*, 17:598, 1922.
.. [#Smith1997] Gregory P. Smith, David M. Golden, Michael Frenklach, Nigel
W. Moriarty, Boris Eiteneer, Mikhail Goldenberg, C. Thomas Bowman, Ronald
K. Hanson, Soonho Song, William C. Gardiner, Jr., Vitali V. Lissianski, , and
Zhiwei Qin. GRI-Mech version 3.0, 1997. see
http://www.me.berkeley.edu/gri_mech.
.. [#Stewart1989] P. H. Stewart, C. W. Larson, and D. Golden.
*Combustion and Flame*, 75:25, 1989.
.. [#Kee1989] R. J. Kee, F. M. Rupley, and J. A. Miller. Chemkin-II: A Fortran
chemical kinetics package for the analysis of gasphase chemical
kinetics. Technical Report SAND89-8009, Sandia National Laboratories, 1989.