[cig-commits] [commit] add_thermodynamic_potentials: Added pv SolidSolution parameters (f47e82f)

[cig_noreply at geodynamics.org]

Repository : https://github.com/geodynamics/burnman

On branch  : add_thermodynamic_potentials
Link       : https://github.com/geodynamics/burnman/compare/2e5646d93cedbbf8eae54cc37cffc14e0aa85180...d5ddad03ff9f30f5a4efaddb4e3ec585ea1a7c51

>---------------------------------------------------------------

commit f47e82f024c126e0b108b302908c3a28a077f1b4
Author: Bob Myhill <myhill.bob at gmail.com>
Date:   Tue Aug 26 00:15:22 2014 +0200

    Added pv SolidSolution parameters


>---------------------------------------------------------------

f47e82f024c126e0b108b302908c3a28a077f1b4
 burnman/minerals/SLB_2011_working.py | 41 +++++++++++++-----------------------
 1 file changed, 15 insertions(+), 26 deletions(-)

diff --git a/burnman/minerals/SLB_2011_working.py b/burnman/minerals/SLB_2011_working.py
index 42a0712..d0f9911 100644
--- a/burnman/minerals/SLB_2011_working.py
+++ b/burnman/minerals/SLB_2011_working.py
@@ -104,21 +104,34 @@ class wuestite (Mineral):
             'err_q_0':1.0,
             'err_eta_s_0':1.0}
 
-
+# Stixrude and Lithgow-Bertelloni, 2011
 class ferropericlase(SolidSolution):
     def __init__(self):
         base_material = [[periclase(), '[Mg]O',       1.0], /
                          wuestite(),   '[Fe]O',       1.0], /
         
         # Interaction parameters
-        excess_enthalpy=[[11e3]]
+        excess_enthalpy=[[13e3]]
         excess_entropy=[[0.]]
         excess_volume=[[0.]]
 
         interaction_parameter=[excess_enthalpy,excess_entropy,excess_volume]
         SolidSolution.__init__(self, base_material, interaction_parameter)
 
+# Stixrude and Lithgow-Bertelloni, 2011
+class mg_fe_perovskite(SolidSolution):
+    def __init__(self):
+        base_materials = [[mg_perovskite(), '[Mg]SiO3', 1.0], /
+                          fe_perovskite(),  '[Fe]SiO3', 1.0]]
+        # Interaction parameters
+        excess_enthalpy=[[0e3]]
+        excess_entropy=[[0.]]
+        excess_volume=[[0.]]
 
+        interaction_parameter=[excess_enthalpy,excess_entropy,excess_volume]
+        SolidSolution.__init__(self, base_material, interaction_parameter)
+
+# Mixed Holland and Powell sources (test only)
 class garnet(SolidSolution):
     def __init__(self):
         # Endmembers
@@ -136,16 +149,6 @@ class garnet(SolidSolution):
         SolidSolution.__init__(self, base_material, interaction_parameter)
 
 
-
-
-
-
-class mg_fe_perovskite(bmb.HelperSolidSolution):
-    def __init__(self, fe_num):
-        base_materials = [mg_perovskite(), fe_perovskite()]
-        molar_fraction = [1. - fe_num, 0.0 + fe_num] # keep the 0.0 +, otherwise it is an array sometimes
-        bmb.HelperSolidSolution.__init__(self, base_materials, molar_fraction)
-
 class mg_perovskite(Mineral):
     """
     Stixrude & Lithgow-Bertelloni 2011 and references therein
@@ -205,20 +208,6 @@ class fe_perovskite(Mineral):
             'err_q_0':1.0,
             'err_eta_s_0':1.0}
 
-class mg_fe_perovskite_pt_dependent(bmb.HelperFeDependent):
-    def __init__(self, iron_number_with_pt, idx):
-        bmb.HelperFeDependent.__init__(self, iron_number_with_pt, idx)
-
-    def create_inner_material(self, iron_number):
-        return mg_fe_perovskite(iron_number)
-
-class ferropericlase_pt_dependent(bmb.HelperFeDependent):
-    def __init__(self, iron_number_with_pt, idx):
-        bmb.HelperFeDependent.__init__(self, iron_number_with_pt, idx)
-
-    def create_inner_material(self, iron_number):
-        return ferropericlase(iron_number)
-
 mg_bridgmanite = mg_perovskite
 fe_bridgmanite = fe_perovskite
 mg_fe_bridgmanite = mg_fe_perovskite