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
'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 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb3',
'V_0': 24.45e-6,
'K_0': 250.5e9,
'Kprime_0': 4.01,
'G_0': 172.9e9,
'Gprime_0': 1.74,
'molar_mass': .1000,
'n': 5,
'Debye_0': 905.9,
'grueneisen_0': 1.44,
'q_0': 1.09,
'eta_s_0': 2.13 } #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_eta_s_0':.3}
Mineral.__init__(self)
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,
'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_eta_s_0':1.0}
Mineral.__init__(self)
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,
'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_eta_s_0' : 1.0
}
Mineral.__init__(self)
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
'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_eta_s_0':1.0}
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state': 'mgd3',
'V_0': 21.49e-6,
'K_0': 186.0e9,
'Kprime_0': 4.6,
'molar_mass': .04567,
'n': 2,
'Debye_0': 587.,
'grueneisen_0': 1.46,
'q_0': 1.2 }
Mineral.__init__(self)
def __init__(self):
formula='CO2'
formula = dictionarize_formula(formula)
self.params = {
'name': 'carbon dioxide',
'formula': formula,
'equation_of_state': 'cork',
'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
'cork_T': 304.2,
'cork_P': 0.0738e8,
'H_0': -393.51e3,
'S_0': 213.7,
'Cp': [87.8, -2.644e-3, 706.4e3, -998.9]}
Mineral.__init__(self)
def __init__(self):
formula='H2S'
formula = dictionarize_formula(formula)
self.params = {
'name': 'hydrogen sulfide',
'formula': formula,
'equation_of_state': 'cork',
'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
'cork_T': 373.15,
'cork_P': 0.08937e8,
'H_0': 128.54e3,
'S_0': 231.0,
'Cp': [47.4, 0.010240, 615900., -397.8]}
Mineral.__init__(self)
def __init__(self):
formula='S2'
formula = dictionarize_formula(formula)
self.params = {
'name': 'sulfur gas',
'formula': formula,
'equation_of_state': 'cork',
'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
'cork_T': 1314.00,
'cork_P': 0.21000e8,
'H_0': 128.54e3,
'S_0': 231.0,
'Cp': [37.1, 0.002398, -161000.0, -65.0]}
Mineral.__init__(self)
def __init__(self):
formula='O2'
formula = dictionarize_formula(formula)
self.params = {
'name': 'oxygen gas',
'formula': formula,
'equation_of_state': 'cork',
'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
'cork_T': 0.,
'cork_P': 1.0e5,
'H_0': 0.,
'S_0': 205.2,
'Cp': [48.3, -0.000691, 499200., -420.7]}
Mineral.__init__(self)
def __init__(self):
formula='H2'
formula = dictionarize_formula(formula)
self.params = {
'name': 'hydrogen gas',
'formula': formula,
'equation_of_state': 'cork',
'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
'cork_T': 41.2,
'cork_P': 0.0211e8,
'H_0': 0.,
'S_0': 130.7,
'Cp': [23.3, 0.004627, 0.0, 76.3]}
Mineral.__init__(self)
def __init__(self):
formula='CH4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'methane',
'formula': formula,
'equation_of_state': 'cork',
'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
'cork_T': 190.6,
'cork_P': 0.0460e8,
'H_0': -74.81e3,
'S_0': 186.26,
'Cp': [150.1, 0.002063, 3427700., -2650.4]}
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'mgd2',
'V_0': 24.43e-6,
'K_0': 250.0e9,
'Kprime_0': 4.0,
'G_0': 175.0e9,
'Gprime_0': 1.8,
'molar_mass': .1020,
'n': 5,
'Debye_0': 1070.,
'grueneisen_0': 1.48,
'q_0': 1.4}
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'mgd2',
'V_0': 25.34e-6,
'K_0': 250.0e9,
'Kprime_0': 4.0,
'G_0': 135.0e9,
'Gprime_0': 1.3,
'molar_mass': .1319,
'n': 5,
'Debye_0': 841.,
'grueneisen_0': 1.48,
'q_0': 1.4}
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'mgd2',
'V_0': 27.45e-6,
'K_0': 236.0e9,
'Kprime_0': 3.9,
'G_0': 165.0e9,
'Gprime_0': 2.46,
'molar_mass': .11616,
'n': 5,
'Debye_0': 984.,
'grueneisen_0': 1.53,
'q_0': 1.6}
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'mgd2',
'V_0': 11.25e-6,
'K_0': 160.1e9,
'Kprime_0': 3.83,
'G_0': 130.0e9,
'Gprime_0': 2.2,
'molar_mass': .0403,
'n': 2,
'Debye_0': 673.,
'grueneisen_0': 1.41,
'q_0': 1.3 }
Mineral.__init__(self)
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': 773.,
'grueneisen_0': 1.5,
'q_0': 1.5,
'eta_s_0': 2.8 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb3',
'V_0': 24.45e-6,
'K_0': 251.0e9,
'Kprime_0': 4.1,
'G_0': 175.0e9,
'Gprime_0': 1.7,
'molar_mass': .1000,
'n': 5,
'Debye_0': 1070.,
'grueneisen_0': 1.48,
'q_0': 1.4,
'eta_s_0': 2.6 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb3',
'V_0': 25.48e-6,
'K_0': 281.0e9,
'Kprime_0': 4.1,
'G_0': 138.0e9,
'Gprime_0': 1.7,
'molar_mass': .1319,
'n': 5,
'Debye_0': 841.,
'grueneisen_0': 1.48,
'q_0': 1.4,
'eta_s_0': 2.1 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb3',
'V_0': 12.06e-6,
'K_0': 152.0e9,
'Kprime_0': 4.9,
'G_0': 47.0e9,
'Gprime_0': 0.7,
'molar_mass': .0718,
'n': 2,
'Debye_0': 455.,
'grueneisen_0': 1.28,
'q_0': 1.5,
'eta_s_0': 0.8 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state': 'slb3',
'V_0': 14.02e-6,
'K_0': 314.0e9,
'Kprime_0': 4.4,
'G_0': 220.0e9,
'Gprime_0': 1.6,
'molar_mass': .0601,
'n': 3,
'Debye_0': 1044.,
'grueneisen_0': 1.34,
'q_0': 2.4,
'eta_s_0': 5.0 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb2',
'V_0': 24.607e-6,
'K_0': 251.9e9,
'Kprime_0': 4.01,
'G_0': 164.7e9,
'Gprime_0': 1.58,
'molar_mass': .102,
'n': 5,
'Debye_0': 1054.,
'grueneisen_0': 1.48,
'q_0': 1.4,
'eta_s_0': 2.4 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb2',
'V_0': 11.24e-6, # S & L-B 2005
'K_0': 161e9,
'Kprime_0': 3.9,
'G_0': 131e9,
'Gprime_0': 1.92,
'molar_mass': .0403,
'n': 2,
'Debye_0': 773., # S& L-B 2005
'grueneisen_0': 1.5,
'q_0': 1.5, #S&L-B 2005
'eta_s_0': 3.0 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb3',
'V_0': 24.45e-6, # S & L-B 2005
'K_0': 281e9,
'Kprime_0': 4.1,
'G_0': 171.42e9,
'Gprime_0': 1.83,
'molar_mass': .100,
'n': 5,
'Debye_0': 1070.,
'grueneisen_0': 1.48,
'q_0': 1.4,
'eta_s_0': 2.4 }
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb3',
'V_0': 11.171e-6,
'K_0': 170.0e9,
'Kprime_0': 4.0,
'G_0': 151.67e9,
'Gprime_0': 1.754,
'molar_mass': .0469,
'n': 2,
'Debye_0': 706.,
'grueneisen_0': 1.45,
'q_0': 1.5,
'eta_s_0': 2.54}
Mineral.__init__(self)
def __init__(self):
self.params = {
'equation_of_state':'slb3',
'V_0': 11.412e-6,
'K_0': 159.1e9,
'Kprime_0': 4.11,
'G_0': 129.35e9,
'Gprime_0': 1.993,
'molar_mass': .0469,
'n': 2,
'Debye_0': 706.,
'grueneisen_0': 1.45,
'q_0': 1.5,
'eta_s_0': 2.54 }
Mineral.__init__(self)
def set_state(self, pressure, temperature):
for mat in self.base_materials:
mat.method = self.method
mat.set_state(pressure, temperature)
itrange = range(0, len(self.base_materials))
self.params = {}
# some do arithmetic averaging of the end members
for prop in self.base_materials[0].params:
try:
self.params[prop] = sum([ self.base_materials[i].params[prop] * self.molar_fraction[i] for i in itrange ])
except TypeError:
#if there is a type error, it is probably a string. Just go with the value of the first base_material.
self.params[prop] = self.base_materials[0].params[prop]
Mineral.set_state(self, pressure, temperature)
def __init__(self):
formula='MgSiO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'mcor',
'formula': formula,
'equation_of_state': 'hp_tmt',
'H_0': -1468000.0 ,
'S_0': 59.3 ,
'V_0': 2.635e-05 ,
'Cp': [147.8, 0.002015, -2395000.0, -801.8] ,
'a_0': 2.12e-05 ,
'K_0': 2.11e+11 ,
'Kprime_0': 4.55 ,
'Kdprime_0': -2.2e-11 ,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula, atomic_masses)}
self.uncertainties = {
'err_H_0': 880.0 }
Mineral.__init__(self)
def __init__(self):
formula='Fe1.0'
formula = dictionarize_formula(formula)
self.params = {
'name': 'BCC iron',
'formula': formula,
'equation_of_state': 'hp_tmt',
'H_0': 9149.0 ,
'S_0': 36.868 ,
'V_0': 7.09e-06 ,
'Cp': [21.09, 0.0101455, -221508., 47.1947] ,
'a_0': 3.56e-05 ,
'K_0': 1.64e+11 ,
'Kprime_0': 5.16 ,
'Kdprime_0': -3.1e-11 ,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula, atomic_masses),
'curie_temperature': [1043., 0.0] ,
'magnetic_moment': [2.22, 0.0] ,
'magnetic_structural_parameter': 0.4 }
Mineral.__init__(self)
def __init__(self):
formula='Fe1.0'
formula = dictionarize_formula(formula)
self.params = {
'name': 'FCC iron',
'formula': formula,
'equation_of_state': 'hp_tmt',
'H_0': 7973.0 ,
'S_0': 35.907 ,
'V_0': 6.93863394593e-06 ,
'Cp': [22.24, 0.0088656, -221517., 47.1998] ,
'a_0': 5.13e-05 ,
'K_0': 1.539e+11 ,
'Kprime_0': 5.2 ,
'Kdprime_0': -3.37e-11 ,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula, atomic_masses),
'curie_temperature': [201., 0.0] ,
'magnetic_moment': [2.1, 0.0] ,
'magnetic_structural_parameter': 0.28 }
Mineral.__init__(self)
