[cig-commits] [commit] add_thermodynamic_potentials: Bugfix (6acdd08)
cig_noreply at geodynamics.org
cig_noreply at geodynamics.org
Tue Dec 9 09:56:08 PST 2014
Repository : https://github.com/geodynamics/burnman
On branch : add_thermodynamic_potentials
Link : https://github.com/geodynamics/burnman/compare/2e5646d93cedbbf8eae54cc37cffc14e0aa85180...d5ddad03ff9f30f5a4efaddb4e3ec585ea1a7c51
>---------------------------------------------------------------
commit 6acdd085d06d71f32a331328daeaa90c55e7f0bb
Author: ian-r-rose <ian.r.rose at gmail.com>
Date: Tue Sep 2 18:28:04 2014 -0700
Bugfix
>---------------------------------------------------------------
6acdd085d06d71f32a331328daeaa90c55e7f0bb
burnman/solutionmodel.py | 9 +++++----
1 file changed, 5 insertions(+), 4 deletions(-)
diff --git a/burnman/solutionmodel.py b/burnman/solutionmodel.py
index e2d3f2b..7f6ada7 100644
--- a/burnman/solutionmodel.py
+++ b/burnman/solutionmodel.py
@@ -92,16 +92,17 @@ class IdealSolution ( SolutionModel ):
def configurational_entropy (self, molar_fractions):
activities = self.ideal_activities( molar_fractions )
- gibbs_excess_ideal = 0.0
+ conf_entropy = 0.0
tol = 1.e-10
for i in range(self.n_endmembers):
if molar_fractions[i] > tol:
- configurational_entropy = configurational_entropy - \
- molar_fractions[i] * R * np.log(activities[i])
+ conf_entropy = conf_entropy - \
+ molar_fractions[i] * R * np.log(activities[i])
+ return conf_entropy
def ideal_gibbs_excess( self, temperature, molar_fractions ):
- return 0.0 - temperature*configurational_entropy(molar_fractions)
+ return -temperature*self.configurational_entropy(molar_fractions)
def ideal_activities ( self, molar_fractions ):
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