[cig-commits] [commit] add_thermodynamic_potentials: Added preliminary format for SolidSolution parameters (5d26be8)

[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

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commit 5d26be8e97789bee9e722fd01cfa43871eaf9cca
Author: Bob Myhill <myhill.bob at gmail.com>
Date:   Mon Aug 25 23:52:46 2014 +0200

    Added preliminary format for SolidSolution parameters


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

5d26be8e97789bee9e722fd01cfa43871eaf9cca
 burnman/minerals/SLB_2011_working.py | 41 +++++++++++++++++++++++++++++-------
 1 file changed, 33 insertions(+), 8 deletions(-)

diff --git a/burnman/minerals/SLB_2011_working.py b/burnman/minerals/SLB_2011_working.py
index b4ebebf..42a0712 100644
--- a/burnman/minerals/SLB_2011_working.py
+++ b/burnman/minerals/SLB_2011_working.py
@@ -106,14 +106,39 @@ class wuestite (Mineral):
 
 
 class ferropericlase(SolidSolution):
-    def __init__(self, x):
-        model_type='asymmetric'
-        base_material = [periclase(), wuestite()]
-        molar_fraction = [1. - x, 0. + x] # keep the 0.0 +, otherwise it is an array sometimes
-        site_occupancy = [['x(Mg)',1. - x],['x(Fe)',0. + x]]
-        interaction_parameter = [[4.e3,0.0,0.0]] # Wh + T*Ws + P*Wv, J/mol
-        van_laar_parameter=[1.0,1.0]
-        SolidSolution.__init__(self, base_material, molar_fraction, site_occupancy, interaction_parameter, van_laar_parameter)
+    def __init__(self):
+        base_material = [[periclase(), '[Mg]O',       1.0], /
+                         wuestite(),   '[Fe]O',       1.0], /
+        
+        # Interaction parameters
+        excess_enthalpy=[[11e3]]
+        excess_entropy=[[0.]]
+        excess_volume=[[0.]]
+
+        interaction_parameter=[excess_enthalpy,excess_entropy,excess_volume]
+        SolidSolution.__init__(self, base_material, interaction_parameter)
+
+
+class garnet(SolidSolution):
+    def __init__(self):
+        # Endmembers
+        base_material = [[pyrope(),    '[Mg]3[Al]2Si3O12',         1.0], /
+                         [almandine(), '[Fe]3[Al]2Si3O12',         1.0], /
+                         [grossular(), '[Ca]3[Al]2Si3O12',         2.7], /
+                         [majorite(),  '[Mg]3[Mg1/2Si1/2]2Si3O12', 1.0]]
+
+        # Interaction parameters
+        excess_enthalpy=[[2.5e3, 29.1e3, 15e3][10e3,18e3][48e3]]
+        excess_entropy=[[0., 0., 0.][0., 0.][0.]]
+        excess_volume=[[0., 0., 0.][0., 0.][0.]]
+        
+        interaction_parameter=[excess_enthalpy,excess_entropy,excess_volume]
+        SolidSolution.__init__(self, base_material, interaction_parameter)
+
+
+
+
+
 
 class mg_fe_perovskite(bmb.HelperSolidSolution):
     def __init__(self, fe_num):