[cig-commits] [commit] add_thermodynamic_potentials: Added solid solutions from hefesto to new SLB_2011 input file (ee33dd1)
cig_noreply at geodynamics.org
cig_noreply at geodynamics.org
Tue Dec 9 09:54:54 PST 2014
Repository : https://github.com/geodynamics/burnman
On branch : add_thermodynamic_potentials
Link : https://github.com/geodynamics/burnman/compare/2e5646d93cedbbf8eae54cc37cffc14e0aa85180...d5ddad03ff9f30f5a4efaddb4e3ec585ea1a7c51
>---------------------------------------------------------------
commit ee33dd1d8bf77c56a68f03b1a122fe3a622ac070
Author: Bob Myhill <myhill.bob at gmail.com>
Date: Sun Aug 31 21:56:13 2014 +0200
Added solid solutions from hefesto to new SLB_2011 input file
>---------------------------------------------------------------
ee33dd1d8bf77c56a68f03b1a122fe3a622ac070
burnman/minerals/SLB_2011_w_solid_solutions.py | 374 +++++++++++++++++++++++++
1 file changed, 374 insertions(+)
diff --git a/burnman/minerals/SLB_2011_w_solid_solutions.py b/burnman/minerals/SLB_2011_w_solid_solutions.py
new file mode 100644
index 0000000..3c1f4bf
--- /dev/null
+++ b/burnman/minerals/SLB_2011_w_solid_solutions.py
@@ -0,0 +1,374 @@
+# BurnMan - a lower mantle toolkit
+# Copyright (C) 2012, 2013, Heister, T., Unterborn, C., Rose, I. and Cottaar, S.
+# Released under GPL v2 or later.
+
+"""
+
+SLB_2011
+^^^^^^^^
+
+Minerals from Stixrude & Lithgow-Bertelloni 2011 and references therein
+Solid solutions from inv251010 of HeFESTo
+
+"""
+
+from burnman.processchemistry import ProcessChemistry
+from burnman.mineral import Mineral
+from burnman.solidsolution import SolidSolution
+
+class c2c(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='C2/c pyroxene'
+
+ # Endmembers (C2/c is symmetric)
+ base_material = [[mgc2(), '[Mg]2Si2O6'],[fec2(), '[Fe]2Si2O6']]
+
+ # Interaction parameters (C2c is ideal)
+ interaction_parameter=[]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+
+
+class cf(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='calcium ferrite'
+
+ # Endmembers (CF is symmetric)
+ base_material = [[mgcf(), '[Mg]Al[Al]O4'],[fecf(), '[Fe]Al[Al]O4'],[nacf(), '[Na]Al[Si]O4']]
+
+ # Interaction parameters (CF is ideal)
+ interaction_parameter=[]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class cpv(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='calcium perovskite'
+
+ # Endmembers (cpv is symmetric)
+ base_material = [[capv(), '[Ca][Ca]Si2O6'],[jdpv(), '[Na][Al]Si2O6']]
+
+ # Interaction parameters (cpv is ideal)
+ interaction_parameter=[]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class cpx(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='clinopyroxene'
+
+ # Endmembers (cpx is symmetric)
+ base_material = [[di(), '[Ca][Mg][Si]2O6'],[he(), '[Ca][Fe][Si]2O6'],[cen(), '[Mg][Mg][Si]2O6'],[cats(), '[Ca][Al][Si1/2Al1/2]2O6'],[jd(), '[Na][Al][Si]2O6']]
+
+ # Interaction parameters
+ interaction_parameter=[[0., 24.74e3, 26.e3, 24.3e3],[24.74e3, 0., 0.e3], [60.53136e3, 0.0], [10.e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class gt(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='garnet'
+
+ # Endmembers (garnet is symmetric)
+ base_material = [[py(), '[Mg]3[Al][Al]Si3O12'],[al(), '[Fe]3[Al][Al]Si3O12'],[gr(), '[Ca]3[Al][Al]Si3O12'],[mgmj(), '[Mg]3[Mg][Si]Si3O12'],[jdmj(), '[Na2/3Al1/3]3[Al][Si]Si3O12']]
+ # Interaction parameters
+ interaction_parameter=[[0.0, 30.e3, 21.20278e3, 0.0],[0.0,0.0,0.0],[57.77596e3, 0.0],[0.0]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+
+class il(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='ilmenite/akimotoite'
+
+ # Endmembers (ilmenite/akimotoite is symmetric)
+ base_material = [[mgil(), '[Mg][Si]O3'],[feil(), '[Fe][Si]O3'],[co(), '[Al][Al]O3']]
+ # Interaction parameters
+ interaction_parameter=[[0.0, 66.e3],[66.e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class mw(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='magnesiowustite/ferropericlase'
+
+ # Endmembers (ferropericlase is symmetric)
+ base_material = [[pe(), '[Mg]O'],[wu(), '[Fe]O']]
+ # Interaction parameters
+ interaction_parameter=[[13.e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class ol(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='olivine'
+
+ # Endmembers (olivine is symmetric)
+ base_material = [[fo(), '[Mg]2SiO4'],[wu(), '[Fe]2SiO4']]
+ # Interaction parameters
+ interaction_parameter=[[7.81322e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class opx(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='orthopyroxene'
+
+ # Endmembers (orthopyroxene is symmetric)
+ base_material = [[en(), '[Mg][Mg][Si]SiO6'],[fs(), '[Fe][Fe][Si]SiO6'],[mgts(), '[Mg][Al][Al]SiO6'],[odi(), '[Ca][Mg][Si]SiO6']]
+
+ # Interaction parameters
+ interaction_parameter=[[0.0, 0.0, 32.11352e3],[0.0, 0.0],[48.35316e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class plag(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='plagioclase'
+
+ # Endmembers (plagioclase is symmetric)
+ base_material = [[an(), '[Ca][Al]2Si2O8'],[ab(), '[Na][Al1/2Si1/2]2Si2O8']]
+ # Interaction parameters
+ interaction_parameter=[[26.0e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class ppv(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='post-perovskite/bridgmanite'
+
+ # Endmembers (post perovskite is symmetric)
+ base_material = [[mppv(), '[Mg][Si]O3'],[fppv(), '[Fe][Si]O3'],[appv(), '[Al][Al]O3']]
+
+ # Interaction parameters
+ interaction_parameter=[[0.0, 60.0e3],[0.0]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class pv(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='perovskite/bridgmanite'
+
+ # Endmembers (post perovskite is symmetric)
+ base_material = [[mgpv(), '[Mg][Si]O3'],[fepv(), '[Fe][Si]O3'],[alpv(), '[Al][Al]O3']]
+
+ # Interaction parameters
+ interaction_parameter=[[0.0, 116.0e3],[0.0]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class ri(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='ringwoodite'
+
+ # Endmembers (post perovskite is symmetric)
+ base_material = [[mgri(), '[Mg]2SiO4'],[feri(), '[Fe]2SiO4']]
+
+ # Interaction parameters
+ interaction_parameter=[[9.34084e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class mg_fe_spinel(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='spinel, fixed order'
+
+ # Endmembers (post perovskite is symmetric)
+ base_material = [[sp(), '[Mg3/4Al1/4]4[Al7/8Mg1/8]8O16'],[hc(), '[Fe3/4Al1/4]4[Al7/8Fe1/8]8O16']]
+
+ # Interaction parameters
+ interaction_parameter=[[5.87646e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class wa(SolidSolution):
+ def __init__(self):
+ # Name
+ self.name='wadsleyite'
+
+ # Endmembers (post perovskite is symmetric)
+ base_material = [[mgwa(), '[Mg]2SiO4'],[fewa(), '[Fe]2SiO4']]
+
+ # Interaction parameters
+ interaction_parameter=[[16.74718e3]]
+
+ SolidSolution.__init__(self, base_material, interaction_parameter)
+
+class stishovite (Mineral):
+ """
+ Stixrude & Lithgow-Bertelloni 2011 and references therein
+ """
+ def __init__(self):
+ self.params = {
+ 'equation_of_state': 'slb3',
+ 'V_0': 14.02e-6,
+ 'K_0': 314.0e9,
+ 'Kprime_0': 3.8,
+ 'G_0': 220.0e9,
+ 'Gprime_0': 1.9,
+ 'molar_mass': .0601,
+ 'n': 3,
+ 'Debye_0': 1108.,
+ 'grueneisen_0': 1.37,
+ 'q_0': 2.8,
+ 'F_0': -8.55e5,
+ 'eta_s_0': 4.6}
+
+ self.uncertainties = {
+ 'err_K_0':8.e9,
+ 'err_Kprime_0':0.1,
+ 'err_G_0':12.e9,
+ 'err_Gprime_0':0.1,
+ 'err_Debye_0' : 13.,
+ 'err_grueneisen_0': .17,
+ 'err_q_0': 2.2,
+ 'err_F_0': 1.0e3,
+ 'err_eta_s_0' : 1.0
+ }
+
+
+class periclase (Mineral):
+ """
+ Stixrude & Lithgow-Bertelloni 2011 and references therein
+ """
+ def __init__(self):
+ self.params = {
+ 'equation_of_state':'slb3',
+ 'V_0': 11.24e-6,
+ 'K_0': 161.0e9,
+ 'Kprime_0': 3.8,
+ 'G_0': 131.0e9,
+ 'Gprime_0': 2.1,
+ 'molar_mass': .0403,
+ 'n': 2,
+ 'Debye_0': 767.,
+ 'grueneisen_0': 1.36,
+ 'q_0': 1.7, #1.7
+ 'F_0': -5.69e5,
+ 'eta_s_0': 2.8 } # 2.8
+
+ self.uncertainties = {
+ 'err_K_0': 3.e9,
+ 'err_Kprime_0':.2,
+ 'err_G_0':1.0e9,
+ 'err_Gprime_0':.1,
+ 'err_Debye_0':9.,
+ 'err_grueneisen_0':.05,
+ 'err_q_0':.2,
+ 'err_eta_s_0':.2 }
+
+class wuestite (Mineral):
+ """
+ Stixrude & Lithgow-Bertelloni 2011 and references therein
+ """
+ def __init__(self):
+ self.params = {
+ 'equation_of_state':'slb3',
+ 'V_0': 12.26e-6,
+ 'K_0': 179.0e9,
+ 'Kprime_0': 4.9,
+ 'G_0': 59.0e9,
+ 'Gprime_0': 1.4,
+ 'molar_mass': .0718,
+ 'n': 2,
+ 'Debye_0': 454.,
+ 'grueneisen_0': 1.53,
+ 'q_0': 1.7, #1.7
+ 'F_0': -2.42e5,
+ 'eta_s_0': -0.1 } #
+
+ self.uncertainties = {
+ 'err_K_0':1.e9,
+ 'err_Kprime_0':.2,
+ 'err_G_0':1.e9,
+ 'err_Gprime_0':.1,
+ 'err_Debye_0':21.,
+ 'err_grueneisen_0':.13,
+ 'err_q_0':1.0,
+ 'err_F_0': 1.0e3,
+ 'err_eta_s_0':1.0}
+
+
+class mg_perovskite(Mineral):
+ """
+ Stixrude & Lithgow-Bertelloni 2011 and references therein
+ """
+ def __init__(self):
+ self.params = {
+ 'equation_of_state':'slb3',
+ 'V_0': 24.45e-6,
+ 'K_0': 251.0e9,
+ 'Kprime_0': 4.1,
+ 'G_0': 173.0e9,
+ 'Gprime_0': 1.7,
+ 'molar_mass': .1000,
+ 'n': 5,
+ 'Debye_0': 905.,
+ 'grueneisen_0': 1.57,
+ 'q_0': 1.1,
+ 'F_0': -13.68e5,
+ 'eta_s_0': 2.6 } #2.6
+
+ self.uncertainties = {
+ 'err_K_0': 3.e9,
+ 'err_Kprime_0': 0.1,
+ 'err_G_0': 2.e9,
+ 'err_Gprime_0' : 0.0,
+ 'err_Debye_0': 5.,
+ 'err_grueneisen_0':.05,
+ 'err_q_0': .3,
+ 'err_F_0': 1.0e3,
+ 'err_eta_s_0':.3}
+
+
+class fe_perovskite(Mineral):
+ """
+ Stixrude & Lithgow-Bertelloni 2011 and references therein
+ """
+ def __init__(self):
+ self.params = {
+ 'equation_of_state':'slb3',
+ 'V_0': 25.49e-6,
+ 'K_0': 272.0e9,
+ 'Kprime_0': 4.1,
+ 'G_0': 133.0e9,
+ 'Gprime_0': 1.4,
+ 'molar_mass': .1319,
+ 'n': 5,
+ 'Debye_0': 871.,
+ 'grueneisen_0': 1.57,
+ 'q_0': 1.1,
+ 'F_0': -10.41e5,
+ 'eta_s_0': 2.3 } #2.3
+
+ self.uncertainties = {
+ 'err_K_0':40e9,
+ 'err_Kprime_0':1.,
+ 'err_G_0':40e9,
+ 'err_Gprime_0':0.0,
+ 'err_Debye_0':26.,
+ 'err_grueneisen_0':.3,
+ 'err_q_0':1.0,
+ 'err_F_0': 6.0e3,
+ 'err_eta_s_0':1.0}
+
+
+mg_bridgmanite = mg_perovskite
+fe_bridgmanite = fe_perovskite
+mg_fe_bridgmanite = mg_fe_perovskite
+mg_fe_bridgmanite_pt_dependent = mg_fe_perovskite_pt_dependent
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