…tureFugacityTP

Co-authored-by: Ray Speth <[email protected]>
Co-authored-by: Gandhali Kogekar <[email protected]>

Co-authored-by: Gandhali Kogekar <[email protected]>

…on.h

- Creates CO2-PR phase in test/data/thermo-models.yaml
- Creates `PengRobinson_CO2` test in test/thermo/thermoFromYAML.cpp
- Fixes minor capitalization typo in PengRobinson:calculateAlpha

Deletes CO2 interaction parameters from co2_PR_example.yaml, such that
phase construction in PengRobinson_Test.cpp covers the cirtical property
lookup capabilities in PengRobinson::getCoeff. Note that this required
changing some of the regression test expected values, as the critical
properties don't correspond perfectly with the interaction parameters
previously stored in co2_PR_exmple.yaml.

1. g = h- T*s
2. cp = dH/dT at constant pressure using Finite difference method
3. molar enthalpy = \sum x_k h_k

-Temperature input not needed in PengRobinson:calculateAB
-Unused variable RT in PengRobinson_Test/totalEnthalpy
-Replacing duplicative code with call to calcualteAB

Test that mole-fraction weighted sum of partial molar properties
equals the total, and that the identites h_k = u_k - P * v_k and
g_k = h_k - T * s_k are satisfied.

Test using a mixture with multiple components, and at a pressure where
some non-ideal effects will be present.

The temperatures used to calculate RT were inconsistent with the input
temperature values.

is not present in the database.

molar entropies are now evaluated using the equation: hk - t*sk = gk.
Also fixed an error in d2aAlpha_DT2 calculation

Co-authored-by: Steven C. DeCaluwe <[email protected]>

Simplifying d(aAlpha)/dT function for a multicomponent mixture

Co-authored-by: Steven C. DeCaluwe <[email protected]>

Using mixing coefficients a_ij instead of sqrt(a_ii*a_jj)

Co-authored-by: Steven C. DeCaluwe <[email protected]>

Simplifying d2(aAlpha)/dT2 function

Co-authored-by: Steven C. DeCaluwe <[email protected]>

avoid confusion with density

… the

derivative term for aAlpha was missing in the calculation.

NotImplemented error)

value for CO2 in 'critProperties.xml' file.