Difference between revisions of "MSE Density Parameter Update"
Line 9: | Line 9: | ||
[[File:T9.jpg]] (or [[File:T10.jpg]]) | [[File:T9.jpg]] (or [[File:T10.jpg]]) | ||
which is derived from equality of chemical potentials in two normalizations, and using [[File:T11.jpg]]1 in the infinite dilution limit. Derivatives of ’s with respect to pressure give volumes, i.e. | which is derived from equality of chemical potentials in two normalizations, and using [[File:T11.jpg]]1 in the infinite dilution limit. Derivatives of ’s with respect to pressure give volumes, i.e. | ||
+ | [[File:T12.jpg]] -> [[File:T13.jpg]] | ||
+ | Here is how to calculate [[File:T14.jpg]] | ||
+ | Analogous to [[File:T15.jpg]], [[File:T16.jpg]] can be defined as [[File:T17.jpg]] and derived from Eq. (1) as: | ||
+ | [[File:T18.jpg]] (2a) | ||
+ | At infinite dilution, |
Revision as of 07:10, 11 July 2016
In UNIQUAC term, the excess molar volume, , is assumed to be analogous to that of the excess Gibbs energy, i.e.
where is a different interaction parameter from that of
in the
model.
The symmetrically normalized
(subscript UNIQ is omitted in the following text) needs to be converted to the unsymmetrically normalized value (
) for density calculations in MSE.
Conversion from
to
:
Standard state chemical potentials in the two normalizations are related by
(or
)
which is derived from equality of chemical potentials in two normalizations, and using
1 in the infinite dilution limit. Derivatives of ’s with respect to pressure give volumes, i.e.
->
Here is how to calculate
Analogous to
,
can be defined as
and derived from Eq. (1) as:
(2a)
At infinite dilution,