From e4eba2c5f7b00f66e901292648949418a31fad57 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Wed, 4 Apr 2012 18:45:20 +0000 Subject: [PATCH] Added references to the "Defining Phases" documentation --- doc/sphinx/cti/phases.rst | 19 ++++++++++++++++--- doc/sphinx/cti/reactions.rst | 35 ++++++++++++++++++++++++++++------- 2 files changed, 44 insertions(+), 10 deletions(-) diff --git a/doc/sphinx/cti/phases.rst b/doc/sphinx/cti/phases.rst index 7947a88b3..acfe9ab1e 100644 --- a/doc/sphinx/cti/phases.rst +++ b/doc/sphinx/cti/phases.rst @@ -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. diff --git a/doc/sphinx/cti/reactions.rst b/doc/sphinx/cti/reactions.rst index 1a269245a..39492fe54 100644 --- a/doc/sphinx/cti/reactions.rst +++ b/doc/sphinx/cti/reactions.rst @@ -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.