Doxygen update

-worked on the header
This commit is contained in:
Harry Moffat 2007-06-21 14:58:03 +00:00
parent 824dc7f6de
commit 7f971b52d3

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@ -657,11 +657,76 @@ namespace Cantera {
* the <TT> beta0 </TT> block that fits the <TT> COMPLEX1 </TT> temperature
* dependence given above is
*
* @code
<beta0> q0, q1, q2, q3, q4 </beta0>
* @code
* <binarySaltParameters cation="Na+" anion="OH-">
<beta0> q0, q1, q2, q3, q4 </beta0>
<\binarySaltParameters>
* @endcode
*
* <H3> Mixing Parameters </H3>
* <H3> Like-Charged Binary Ion Parameters and the Mixing Parameters </H3>
*
* The previous section contained the functions, \f$ \Phi_{c{c'}} \f$,
* \f$ \Phi_{a{a'}} \f$ and their derivatives wrt the
* ionic strength, \f$ \Phi'_{c{c'}} \f$ and \f$ \Phi'_{a{a'}} \f$.
* Part of these terms come from theory.
*
* Since like charged ions repel each other and are generally
* not near each other, the virial coefficients for same-charged ions
* are small. However, Pitzer doesn't ignore these in his
* formulation. Relatively larger and longer range terms between
* like-charged ions exist however, which appear only for
* unsymmetrical mixing of same-sign charged ions with different
* charges. \f$ \Phi_{ij} \f$, where \f$ ij \f$ is either \f$ a{a'} \f$
* or \f$ c{c'} \f$ is given by
*
* \f[
* \Phi_{i{j}} = \Theta_{ij} + \,^E\Theta_{ij}(I)
* \f]
*
* \f$ \Theta_{ij} \f$ is the small virial coefficient expansion term.
* Dependent in general on temperature and pressure, it's ionic
* strength dependence is ignored in Pitzer's approach.
* \f$ \,^E\Theta_{ij}(I) \f$ accounts for the electrostatic
* unsymmetrical mixing effects and is depeendnet only on the
* charges of the ions i, j, the total ionic strength and on
* the dielectric constant and density of the solvent.
* This seems to be a relatively well-documented part of the theory.
* They theory below comes from Pitzer summation (Pitzer) in the
* appendix. It's also mentioned in bethke's book (Bethke), and
* the equations are summarized in Harvie & Weare (1980).
* Within the code, \f$ \,^E\Theta_{ij}(I) \f$ is evaluated according
* to the algorithm described in Appendix B [Pitzer] as
*
* \f[
* \,^E\Theta_{ij}(I) = \left( \frac{z_i z_j}{4I} \right)
* \left( J(x_{ij}) - \frac{1}{2} J(x_{ii})
* - \frac{1}{2} J(x_{jj}) \right)
* \f]
*
* where \f$ x_{ij} = 6 z_i z_j A_{\phi} \sqrt{I} \f$ and
*
* \f[
* J(x) = \frac{1}{x} \int_0^{\infty}{\left( 1 + q +
* \frac{1}{2} q^2 - e^q \right) y^2 dy}
* \f]
*
* and \f$ q = - (\frac{x}{y}) e^{-y} \f$. \f$ J(x) \f$ is evaluated by
* numerical integration.
*
* The \f$ \Theta_{ij} \f$ term is a constant that is specified
* by the XML element <TT> thetaCation </TT> and
* <TT> thetaAnion </TT>, which
* has the attribute <TT> cation1 </TT>, <TT> cation2 </TT> and
* <TT> anion1 </TT>, <TT> anion2 </TT> respectively
* to identify the interaction. No temperature or
* pressure dependence of this parameter is currently allowed.
* An example of the block is biven below
*
* @code
<thetaCation cation1="Na+" cation2="H+">
<Theta> 0.036 </Theta>
</thetaCation>
@endcode
*
*
* <H3> Ternary Pitzer Parameters </H3>
@ -671,7 +736,7 @@ namespace Cantera {
*
*
* <H3> Example of the Specification of Parameters for the Activity
* Coefficients </H3>
* Coefficients </H3>
*
* An example is given below.
*