def return_trace_ele_ratio(self,ratio):#takes in ratio that wants to found as string and calculates
try:
up,low=ratio.split('/')
up=up.strip()
low=low.strip()
up= up.upper()
low=low.upper()
up_val=try_strings.try_strings(["%s(PPM)"%up,"%s(PPB)"%up,"%s(PPM): altern. values or methods"%up,"%s(PPB): altern. values or methods"%up,"%s(PPB): altern. values and methods"%up,"%s(PPM): altern. values and methods"%up],self.pts)
low_val=try_strings.try_strings(["%s(PPM)"%low,"%s(PPB)"%low,"%s(PPM): altern. values or methods"%low,"%s(PPB): altern. values or methods"%low,"%s(PPB): altern. values and methods"%low,"%s(PPM): altern. values and methods"%low],self.pts)
if up_val is None or low_val is None:
return np.nan
if up_val ==0 or low_val ==0:
return np.nan
else:
return up_val/low_val
except ValueError:#when only one element is specified:ratio.split('/')returns ValueError
ratio=ratio.strip()
ratio= ratio.upper()
print ratio
up_val=try_strings.try_strings(["%s(PPM)"%ratio,"%s(PPB)"%ratio,"%s(PPM): altern. values or methods"%ratio,"%s(PPB): altern. values or methods"%ratio,"%s(PPB): altern. values and methods"%ratio,"%s(PPM): altern. values and methods"%ratio,"%s(WT%%): altern. values and methods"%ratio,"%s(WT%%)"%ratio],self.pts)
if up_val is None:
return np.nan
if up_val ==0:
return np.nan
else:
return up_val
def __init__(
self, name, pts
): #,fo90_0,fo90_8,fo92_0,fo92_8,name):#,fo92_0,fo92_8,tio2):
self.pts = pts
self.name = name
self.tio2 = try_strings.try_strings([
"TIO2(WT%)", "TIO2(WT%): altern. values or methods",
"TIO2(WT%): altern. values and methods"
], self.pts)
#self.eu_anomaly()
self.fo2_vals = [0.15, 0.15]
#self.tio2=self.pts[]
self.Y = try_strings.try_strings([
"Y(PPM)", "Y(PPB)", "Y(PPM): altern. values or methods",
"Y(PPB): altern. values or methods",
"Y(PPB): altern. values and methods",
"Y(PPM): altern. values and methods"
], self.pts)
#self.La=self.pts["La"]
self.La_D = {
"ol": 0.0,
"opx": 0.0008,
"cpx": 0.071
} #distribution coeffs
self.Y_D = {"ol": 1e-3, "opx": 0.086, "cpx": 0.76}
self.ti_D = {"ol": 0.01, "opx": 0.24, "cpx": 0.34}
def __init__(self,name,pts):#,fo90_0,fo90_8,fo92_0,fo92_8,name):#,fo92_0,fo92_8,tio2):
self.pts=pts
self.name=name
self.tio2=try_strings.try_strings(["TIO2(WT%)","TIO2(WT%): altern. values or methods","TIO2(WT%): altern. values and methods"],self.pts)
#self.eu_anomaly()
self.fo2_vals=[0.15,0.15]
#self.tio2=self.pts[]
self.Y=try_strings.try_strings(["Y(PPM)","Y(PPB)","Y(PPM): altern. values or methods","Y(PPB): altern. values or methods","Y(PPB): altern. values and methods","Y(PPM): altern. values and methods"],self.pts)
#self.La=self.pts["La"]
self.La_D={"ol":0.0,"opx":0.0008,"cpx":0.071}#distribution coeffs
self.Y_D={"ol":1e-3,"opx":0.086,"cpx":0.76}
self.ti_D={"ol":0.01,"opx":0.24,"cpx":0.34}
def eu_anomaly(self): #Eu anomaly as defined in Turner and Langmuir 2015, test for mixed evolved and primitive magmas import chondrite_comp Eu=try_strings.try_strings(["EU(PPM)","EU(PPB)","EU(PPM): altern. values or methods","EU(PPB): altern. values or methods","EU(PPB): altern. values and methods","EU(PPM): altern. values and methods"],self.pts) Sm=try_strings.try_strings(["SM(PPM)","SM(PPB)","SM(PPM): altern. values or methods","SM(PPB): altern. values or methods","SM(PPB): altern. values and methods","SM(PPM): altern. values and methods"],self.pts) Gd=try_strings.try_strings(["GD(PPM)","GD(PPB)","GD(PPM): altern. values or methods","GD(PPB): altern. values or methods","GD(PPB): altern. values and methods","GD(PPM): altern. values and methods"],self.pts) Tb=try_strings.try_strings(["TB(PPM)","TB(PPB)","TB(PPM): altern. values or methods","TB(PPB): altern. values or methods","TB(PPB): altern. values and methods","TB(PPM): altern. values and methods"],self.pts) if Gd is not None and Sm is not None and Eu is not None: #np.isnan(Gd)== False: self.eu_anom=(Eu/chondrite_comp.concs["EU"])/(((Sm/chondrite_comp.concs["SM"])+(Gd/chondrite_comp.concs["GD"]))/2.) elif Gd is None and Tb is not None and Eu is not None:#np.isnan(Gd)== True: self.eu_anom=chondrite_comp.concs["EU"]/((2*(Sm/chondrite_comp.concs["SM"])+(Tb/chondrite_comp.concs["TB"]))/3.) else: self.eu_anom=np.nan
def fractionate(ele_d,H2Omelt1,fo2,Fomax,mass_inc=0.00005,Kd_var=1,MgO_min=6.0):#ele_d=dict of element concentrations,h2o=h2o content of melt, fo2=oxidation of mantle,Fo=forsterite content of mantle,Kd_var (1=variable Kd, 0 =non variable Kd)
import math
import try_strings
Iteration=0
#pdb.set_trace()
SiO2melt1 = try_strings.try_strings(["SIO2(WT%)","SIO2(WT%): altern. values or methods","SIO2(WT%): altern. values and methods"],ele_d)
TiO2melt1 = try_strings.try_strings(["TIO2(WT%)","TIO2(WT%): altern. values or methods","TIO2(WT%): altern. values and methods"],ele_d)
Al2O3melt1 = try_strings.try_strings(["AL2O3(WT%)","AL2O3(WT%): altern. values or methods","AL2O3(WT%): altern. values and methods"],ele_d)
Cr2O3melt1 = 0.0#try_strings.try_strings(["CR2O3(WT%)","CR2O3(WT%): altern. values or methods","CR2O3(WT%): altern. values and methods"],ele_d)
FeOmelt1 = try_strings.try_strings(["FEOT(WT%)","FEOT(WT%): altern. values or methods","FEOT(WT%): altern. values and methods"],ele_d)
MnOmelt1 = try_strings.try_strings(["MNO(WT%)","MNO(WT%): altern. values or methods","MNO(WT%): altern. values and methods"],ele_d)
MgOmelt1 = try_strings.try_strings(["MGO(WT%)","MGO(WT%): altern. values or methods","MGO(WT%): altern. values and methods"],ele_d)
CaOmelt1 = try_strings.try_strings(["CAO(WT%)","CAO(WT%): altern. values or methods","CAO(WT%): altern. values and methods"],ele_d)
Na2Omelt1 = try_strings.try_strings(["NA2O(WT%)","NA2O(WT%): altern. values or methods","NA2O(WT%): altern. values and methods"],ele_d)
K2Omelt1 = try_strings.try_strings(["K2O(WT%)","K2O(WT%): altern. values or methods","K2O(WT%): altern. values and methods"],ele_d)
#H2Omelt1 = ele_d["H2O"]
for maj in [SiO2melt1,TiO2melt1,Al2O3melt1,FeOmelt1,MnOmelt1,MgOmelt1,CaOmelt1,Na2Omelt1,K2Omelt1]:
if type(maj) is not float:#if one of major elements values is not a float
#print "heree",ele_d["AL2O3(WT%)"],"blah"
major_eles_corrected={"MGO":'nan',"FEO":'nan',"FE2O3":'nan',"SIO2":'nan',"TIO2":'nan',"AL2O3":'nan',"CAO":'nan',"MNO":'nan',"NA2O":'nan',"K2O":'nan',"H2O":'nan'}
return major_eles_corrected
SumMelt1 = SiO2melt1 + TiO2melt1 + Al2O3melt1 + Cr2O3melt1 + FeOmelt1 + MnOmelt1 + MgOmelt1 + CaOmelt1 + Na2Omelt1 + K2Omelt1 + H2Omelt1
FeOmelt1x = FeOmelt1 * (1 - fo2)#??
Fe2O3melt1x = FeOmelt1 * (fo2) * 159.69 /( 71.84 * 2)#??
Sum = SiO2melt1 + TiO2melt1 + Al2O3melt1 + Cr2O3melt1 + FeOmelt1x + Fe2O3melt1x + MnOmelt1 + MgOmelt1 + CaOmelt1 + Na2Omelt1 + K2Omelt1 + H2Omelt1
if MgOmelt1<MgO_min:
print MgOmelt1,"no this is"
K=0
else:
K=1
#Normalize to 100%
SiO2melt = SiO2melt1 / Sum * 100
TiO2melt = TiO2melt1 / Sum * 100
Al2O3melt = Al2O3melt1 / Sum * 100
Cr2O3melt1 = Cr2O3melt1 / Sum * 100
FeOmelt = FeOmelt1x / Sum * 100
Fe2O3melt = Fe2O3melt1x / Sum * 100
MnOmelt = MnOmelt1 / Sum * 100
MgOmelt = MgOmelt1 / Sum * 100
CaOmelt = CaOmelt1 / Sum * 100
Na2Omelt = Na2Omelt1 / Sum * 100
K2Omelt = K2Omelt1 / Sum * 100
H2Omelt = H2Omelt1 / Sum * 100
#ANHYDROUS cation percents for original sample (note: we include H2O)
cat0 = (SiO2melt1 / 60.08) + (TiO2melt1 / 79.86) + ((2 * Al2O3melt1) / 101.96) + ((2 * Cr2O3melt1) / 151.99) + (FeOmelt1 / 71.84) + (MnOmelt1 / 70.94) + (MgOmelt1 / 40.3) + (CaOmelt1 / 56.08) + ((2 * Na2Omelt1) / 61.98) + ((2 * K2Omelt1) / 94.2)+((2 * Fe2O3melt1x) / 159.59) #2* ? Total number of moles?
Si0 = SiO2melt1 / (60.08 * cat0) * 100
Ti0 = TiO2melt1 / (79.86 * cat0) * 100
Al0 = 2 * Al2O3melt1 / (101.96 * cat0) * 100
Cr0 = 2 * Cr2O3melt1 / (151.99 * cat0) * 100
Fe20 = FeOmelt1x / (71.84 * cat0) * 100
Mn0 = MnOmelt1 / (70.94 * cat0) * 100
Mg0 = MgOmelt1 / (40.3 * cat0) * 100
Ca0 = CaOmelt1 / (56.08 * cat0) * 100
Na0 = 2 * Na2Omelt1 / (61.98 * cat0) * 100
K0 = 2 * K2Omelt1 / (94.2 * cat0) * 100
Fe30 = ((2 * Fe2O3melt1x) / (159.69 * cat0)) * 100
Fe30 = 2 * Fe2O3melt1x / 159.69 / cat0 * 100
if Kd_var == 0:
KD = 0.32
elif Kd_var==1:
KD = 0.25324 + 0.0033663 * (Mg0 + 0.33 * Fe20) #Tamura(19xx)
FoZ = 1 / (1 + KD * Fe20 / Mg0)
if FoZ>Fomax:
dm=-1*mass_inc
else:
dm=mass_inc
Fo=FoZ
if SumMelt1<97:
print "Sum of major elements < 97%; returning 0,0"
K1=0
else:
K1=1
if K1==0 or K==0:
#print K1,K,"blah"
major_eles_corrected={"MGO":'nan',"FEO":'nan',"FE2O3":'nan',"SIO2":'nan',"TIO2":'nan',"AL2O3":'nan',"CAO":'nan',"MNO":'nan',"NA2O":'nan',"K2O":'nan',"H2O":'nan'}
return major_eles_corrected
try:
while True:
MWol = 2 * Fo * 40.3 + 2.0 * (1.0 - Fo) * 71.85 + 60.08#calculating composition of olivine to add in
FeOol = ((2 * (1 - Fo) * 71.85) / MWol) * 100
MgOol = (2 * Fo * 40.3 / MWol) * 100
SiO2ol = (60.08 / MWol) * 100
MgOmelt = (MgOol * dm + MgOmelt) / (1 + dm)
FeOmelt = (FeOol * dm + FeOmelt) / (1 + dm)
Fe2O3melt = Fe2O3melt / (1 + dm)
SiO2melt = (SiO2ol * dm + SiO2melt) / (1 + dm)
TiO2melt = TiO2melt / (1 + dm)
Al2O3melt = Al2O3melt / (1 + dm)
MnOmelt = MnOmelt / (1 + dm)
CaOmelt = CaOmelt / (1 + dm)
Na2Omelt = Na2Omelt / (1 + dm)
K2Omelt = K2Omelt / (1 + dm)
H2Omelt = H2Omelt / (1 + dm)
#Cr2O3melt = Cr2O3melt / (1 + dm)
if Kd_var == 0:
KD = 0.32
if Kd_var == 1:
KD = 0.25324 + 0.0033663 * (Mg0 + 0.33 * Fe20) #Tamura(19xx)
Fo = 1 / (1 + KD * (FeOmelt / 71.85) / (MgOmelt / 40.3))
Sum = (SiO2melt + TiO2melt + Al2O3melt + FeOmelt + Fe2O3melt + MnOmelt + MgOmelt + CaOmelt + Na2Omelt + K2Omelt + H2Omelt)#removed Cr2O3
Iteration+=1
totaloliv = (1 + dm) ** (Iteration)
#print abs(Fo-Fomax)
#print Iteration
# if Iteration%100==0:
# print Fo
# c=raw_input("helo")
if abs(Fo-Fomax)<0.0005:
break
# if Iteration>10000:
# return [0.0,0.0],0.0
except:
major_eles_corrected={"MGO":'nan',"FEO":'nan',"FE2O3":'nan',"SIO2":'nan',"TIO2":'nan',"AL2O3":'nan',"CAO":'nan',"MNO":'nan',"NA2O":'nan',"K2O":'nan',"H2O":'nan'}
return major_eles_corrected
#pdb.set_trace()
#oxide mole percent
Ox = SiO2melt / 60.08 + TiO2melt / 79.86 + Al2O3melt / 101.96 + FeOmelt / 71.84 + MnOmelt / 70.94 + MgOmelt / 40.3 + CaOmelt / 56.08 + Na2Omelt / 61.98 + K2Omelt / 94.2 + H2Omelt / 18.02 + Fe2O3melt / 159.59 #Cr2O3melt / 151.99 removed
moleSiO2 = SiO2melt / 60.08 / Ox * 100
moleTiO2 = TiO2melt / 79.86 / Ox * 100
moleAl2O3 = Al2O3melt / 101.96 / Ox * 100
#moleCr2O3 = Cr2O3melt / 151.99 / Ox * 100
moleFeO = FeOmelt / 71.84 / Ox * 100
moleMnO = MnOmelt / 70.94 / Ox * 100
moleMgO = MgOmelt / 40.3 / Ox * 100
moleCaO = CaOmelt / 56.08 / Ox * 100
moleNa2O = Na2Omelt / 61.98 / Ox * 100
moleK2O = K2Omelt / 94.2 / Ox * 100
moleH2O = H2Omelt / 18.02 / Ox * 100
moleFe2O3 = Fe2O3melt / (159.69 * Ox) * 100
SumOxmole = moleSiO2 + moleTiO2 + moleAl2O3 + moleFeO + moleMnO + moleMgO + moleCaO + moleNa2O + moleK2O + moleH2O + moleFe2O3 #+ moleCr2O3 removed
#ANHYDROUS cation mole percent
cat = moleSiO2 + moleTiO2 + moleAl2O3 * 2 + moleFeO + moleMnO + moleMgO + moleCaO + moleNa2O * 2 + moleK2O * 2 + moleFe2O3 * 2# + moleCr2O3
Si = moleSiO2 / cat * 100
Ti = moleTiO2 / cat * 100
Al = moleAl2O3 * 2 / cat * 100
#Cr = moleCr2O3 * 2 / cat * 100
Fe2 = moleFeO / cat * 100
Mn = moleMnO / cat * 100
Mg = moleMgO / cat * 100
Ca = moleCaO / cat * 100
Na = moleNa2O * 2 / cat * 100
Ks = moleK2O * 2 / cat * 100
#?? No one for H2O
Fe3 = moleFe2O3 * 2 / cat * 100
catsum = Si + Ti + Al + Fe2 + Mn + Mg + Ca + Na + Ks + Fe3#remover+Cr and +H
#Mole Species - Cin-Ty's formulation
Si4O8 = 0.25 * (moleSiO2 - 0.5 * (moleFeO + moleMgO + moleCaO + moleMnO) - moleNa2O - moleK2O)
Ti4O8 = 0.25 * moleTiO2
Al163O8 = 3 / 8. * (moleAl2O3 - moleNa2O)
#Cr163O8 = 3 / 8 * moleCr2O3
Fe163O8 = 3 / 8. * moleFe2O3
Fe4Si2O8 = 0.25 * moleFeO
Mn4Si2O8 = 1 / 4. * moleMnO
Mg4Si2O8 = 1 / 4. * moleMgO
Ca4Si2O8 = 1 / 4. * moleCaO
Na2Al2Si2O8 = moleNa2O
K2Al2Si2O8 = moleK2O
H16O8 = 0.125 * moleH2O
sum8 = Si4O8 + Ti4O8 + Al163O8 + Fe163O8 + Fe4Si2O8 + Mg4Si2O8 + Mn4Si2O8 + Ca4Si2O8 + Na2Al2Si2O8 + K2Al2Si2O8 + H16O8 #+ Cr163O8
Sim = Si4O8 / sum8 * 100
Tim = Ti4O8 / sum8 * 100
Alm = Al163O8 / sum8 * 100
#Crm = Cr163O8 / sum8 * 100
FeIIIm = Fe163O8 / sum8 * 100
FeIIm = Fe4Si2O8 / sum8 * 100
Mnm = Mn4Si2O8 / sum8 * 100
Mgm = Mg4Si2O8 / sum8 * 100
Cam = Ca4Si2O8 / sum8 * 100
Nam = Na2Al2Si2O8 / sum8 * 100
Km = K2Al2Si2O8 / sum8 * 100
Hm = H16O8 / sum8 * 100
sum8b = Sim + Tim + Alm + FeIIIm + FeIIm + Mnm + Mgm + Cam + Nam + Km + Hm # + Crm
#CALCULATION OF PRESSURES AND TEMPERATURES
#PLee parameters
b0 = 4.019 #basic constant
b1 = -770 #temperature 1/T
b2 = 0.0058 #temperature T^0.5
b3 = 0.0165 #Fe
b4 = 0.0005 #Ca
b5 = 0.003 #water
#Putirka 2005 with Na, K, H2O
#T is in Celsius, P is GPa
#Tp = 3063.2 / (math.log(Fo * 100 * 2. / 3. / Mg) + 2.106193 - 0.019 * SiO2melt - 0.08 * (Na2Omelt + K2Omelt) + 0.028 * H2Omelt)
#Pa = 0.1 * (math.exp(0.00252 * Tp - 0.12 * SiO2melt + 5.027))
#PLee = (math.log(Sim) - b0 + b3 * FeIIm + b4 * Cam**2) / (b1 / (Tp + 273.15) + b2 * (Tp + 273.15)**0.5 - b5 * Hm)
# 'Putirka 2005 without compositional effects
# 'T is in Celsius, P is GPa
# If K = 0 Then Tpx = 0 Else Tpx = 4490.5 / (Log(Fo * 100 * 2 / 3 / Mg) + 2.02)
# If Tpx = 0 Then Pax = 0 Else Pax = 0.1 * Exp(0.00252 * Tpx - 0.12 * SiO2melt + 5.027)
# If Pax = 0 Then PLeex = 0 Else PLeex = (Log(Sim) - b0 + b3 * FeIIm + b4 * Cam ^ 2) / (b1 / (Tpx + 273.15) + b2 * (Tpx + 273.15) ^ 0.5 - b5 * Hm)
#
# ActiveCell.Offset(x, 79) = Tpx
# ActiveCell.Offset(x, 80) = PLeex
# ActiveCell.Offset(x, 81) = Pax
#
# 'Lee T-independent barometer
# c0 = 4.05
# c3 = 0.012
#
# If K = 0 Then PLeez = 0 Else PLeez = (Log(Sim) - c0 + c3 * FeIIm) / (c1 / (Mgm ^ (1 / 3)) + c2 * Mgm ^ (1 / 2))
#
# ActiveCell.Offset(x, 89) = PLeez
#
#LEE BAROMETER AND THERMOMETER
TLee = 916.45 + 13.68 * Mgm + 4580 / Sim - 0.509 * Hm * Mgm
PLeeTLee = (math.log(Sim) - b0 + b3 * FeIIm + b4 * Cam**2) / (b1 / (TLee + 273.15) + b2 * (TLee + 273.15)**0.5 - b5 * Hm)
major_eles_corrected={"MGO":MgOmelt,"FEO":FeOmelt,"FE2O3":Fe2O3melt,"SIO2":SiO2melt,"TIO2":TiO2melt,"AL2O3":Al2O3melt,"CAO":CaOmelt,"MNO":MnOmelt,"NA2O":Na2Omelt,"K2O":K2Omelt,"H2O":H2Omelt}
return major_eles_corrected
def fractionate(
ele_d,
H2Omelt1,
fo2,
Fomax,
mass_inc=0.00005,
Kd_var=1,
MgO_min=6.0
): #ele_d=dict of element concentrations,h2o=h2o content of melt, fo2=oxidation of mantle,Fo=forsterite content of mantle,Kd_var (1=variable Kd, 0 =non variable Kd)
import math
import try_strings
Iteration = 0
#pdb.set_trace()
SiO2melt1 = try_strings.try_strings([
"SIO2(WT%)", "SIO2(WT%): altern. values or methods",
"SIO2(WT%): altern. values and methods"
], ele_d)
TiO2melt1 = try_strings.try_strings([
"TIO2(WT%)", "TIO2(WT%): altern. values or methods",
"TIO2(WT%): altern. values and methods"
], ele_d)
Al2O3melt1 = try_strings.try_strings([
"AL2O3(WT%)", "AL2O3(WT%): altern. values or methods",
"AL2O3(WT%): altern. values and methods"
], ele_d)
Cr2O3melt1 = 0.0 #try_strings.try_strings(["CR2O3(WT%)","CR2O3(WT%): altern. values or methods","CR2O3(WT%): altern. values and methods"],ele_d)
FeOmelt1 = try_strings.try_strings([
"FEOT(WT%)", "FEOT(WT%): altern. values or methods",
"FEOT(WT%): altern. values and methods"
], ele_d)
MnOmelt1 = try_strings.try_strings([
"MNO(WT%)", "MNO(WT%): altern. values or methods",
"MNO(WT%): altern. values and methods"
], ele_d)
MgOmelt1 = try_strings.try_strings([
"MGO(WT%)", "MGO(WT%): altern. values or methods",
"MGO(WT%): altern. values and methods"
], ele_d)
CaOmelt1 = try_strings.try_strings([
"CAO(WT%)", "CAO(WT%): altern. values or methods",
"CAO(WT%): altern. values and methods"
], ele_d)
Na2Omelt1 = try_strings.try_strings([
"NA2O(WT%)", "NA2O(WT%): altern. values or methods",
"NA2O(WT%): altern. values and methods"
], ele_d)
K2Omelt1 = try_strings.try_strings([
"K2O(WT%)", "K2O(WT%): altern. values or methods",
"K2O(WT%): altern. values and methods"
], ele_d)
H2Omelt1 = try_strings.try_strings([
"H2O(WT%)", "H2O(WT%): altern. values or methods",
"H2O(WT%): altern. values and methods"
], ele_d)
#H2Omelt1 = ele_d["H2O"]
for maj in [
SiO2melt1, TiO2melt1, Al2O3melt1, FeOmelt1, MnOmelt1, MgOmelt1,
CaOmelt1, Na2Omelt1, K2Omelt1
]:
if type(
maj
) is not float: #if one of major elements values is not a float
#print "heree",ele_d["AL2O3(WT%)"],"blah"
return [0.0, 0.0], 0.0
SumMelt1 = SiO2melt1 + TiO2melt1 + Al2O3melt1 + Cr2O3melt1 + FeOmelt1 + MnOmelt1 + MgOmelt1 + CaOmelt1 + Na2Omelt1 + K2Omelt1 + H2Omelt1
FeOmelt1x = FeOmelt1 * (1 - fo2) #??
Fe2O3melt1x = FeOmelt1 * (fo2) * 159.69 / (71.84 * 2) #??
Sum = SiO2melt1 + TiO2melt1 + Al2O3melt1 + Cr2O3melt1 + FeOmelt1x + Fe2O3melt1x + MnOmelt1 + MgOmelt1 + CaOmelt1 + Na2Omelt1 + K2Omelt1 + H2Omelt1
if MgOmelt1 < MgO_min:
print MgOmelt1, "no this is"
K = 0
else:
K = 1
#Normalize to 100%
SiO2melt = SiO2melt1 / Sum * 100
TiO2melt = TiO2melt1 / Sum * 100
Al2O3melt = Al2O3melt1 / Sum * 100
Cr2O3melt1 = Cr2O3melt1 / Sum * 100
FeOmelt = FeOmelt1x / Sum * 100
Fe2O3melt = Fe2O3melt1x / Sum * 100
MnOmelt = MnOmelt1 / Sum * 100
MgOmelt = MgOmelt1 / Sum * 100
CaOmelt = CaOmelt1 / Sum * 100
Na2Omelt = Na2Omelt1 / Sum * 100
K2Omelt = K2Omelt1 / Sum * 100
H2Omelt = H2Omelt1 / Sum * 100
#ANHYDROUS cation percents for original sample (note: we include H2O)
cat0 = (SiO2melt1 / 60.08) + (TiO2melt1 / 79.86) + (
(2 * Al2O3melt1) /
101.96) + ((2 * Cr2O3melt1) / 151.99) + (FeOmelt1 / 71.84) + (
MnOmelt1 / 70.94) + (MgOmelt1 / 40.3) + (CaOmelt1 / 56.08) + (
(2 * Na2Omelt1) / 61.98) + ((2 * K2Omelt1) / 94.2) + (
(2 * Fe2O3melt1x) / 159.59) #2* ? Total number of moles?
Si0 = SiO2melt1 / (60.08 * cat0) * 100
Ti0 = TiO2melt1 / (79.86 * cat0) * 100
Al0 = 2 * Al2O3melt1 / (101.96 * cat0) * 100
Cr0 = 2 * Cr2O3melt1 / (151.99 * cat0) * 100
Fe20 = FeOmelt1x / (71.84 * cat0) * 100
Mn0 = MnOmelt1 / (70.94 * cat0) * 100
Mg0 = MgOmelt1 / (40.3 * cat0) * 100
Ca0 = CaOmelt1 / (56.08 * cat0) * 100
Na0 = 2 * Na2Omelt1 / (61.98 * cat0) * 100
K0 = 2 * K2Omelt1 / (94.2 * cat0) * 100
Fe30 = ((2 * Fe2O3melt1x) / (159.69 * cat0)) * 100
Fe30 = 2 * Fe2O3melt1x / 159.69 / cat0 * 100
if Kd_var == 0:
KD = 0.32
elif Kd_var == 1:
KD = 0.25324 + 0.0033663 * (Mg0 + 0.33 * Fe20) #Tamura(19xx)
FoZ = 1 / (1 + KD * Fe20 / Mg0)
if FoZ > Fomax:
dm = -1 * mass_inc
else:
dm = mass_inc
Fo = FoZ
if SumMelt1 < 97:
print "Sum of major elements < 97%; returning 0,0"
K1 = 0
else:
K1 = 1
if K1 == 0 or K == 0:
#print K1,K,"blah"
return [0.0, 0.0], 0.0
try:
while True:
MWol = 2 * Fo * 40.3 + 2.0 * (
1.0 - Fo
) * 71.85 + 60.08 #calculating composition of olivine to add in
FeOol = ((2 * (1 - Fo) * 71.85) / MWol) * 100
MgOol = (2 * Fo * 40.3 / MWol) * 100
SiO2ol = (60.08 / MWol) * 100
MgOmelt = (MgOol * dm + MgOmelt) / (1 + dm)
FeOmelt = (FeOol * dm + FeOmelt) / (1 + dm)
Fe2O3melt = Fe2O3melt / (1 + dm)
SiO2melt = (SiO2ol * dm + SiO2melt) / (1 + dm)
TiO2melt = TiO2melt / (1 + dm)
Al2O3melt = Al2O3melt / (1 + dm)
MnOmelt = MnOmelt / (1 + dm)
CaOmelt = CaOmelt / (1 + dm)
Na2Omelt = Na2Omelt / (1 + dm)
K2Omelt = K2Omelt / (1 + dm)
H2Omelt = H2Omelt / (1 + dm)
#Cr2O3melt = Cr2O3melt / (1 + dm)
if Kd_var == 0:
KD = 0.32
if Kd_var == 1:
KD = 0.25324 + 0.0033663 * (Mg0 + 0.33 * Fe20) #Tamura(19xx)
Fo = 1 / (1 + KD * (FeOmelt / 71.85) / (MgOmelt / 40.3))
Sum = (SiO2melt + TiO2melt + Al2O3melt + FeOmelt + Fe2O3melt +
MnOmelt + MgOmelt + CaOmelt + Na2Omelt + K2Omelt + H2Omelt
) #removed Cr2O3
Iteration += 1
print iteration
totaloliv = (1 + dm)**(Iteration)
#print abs(Fo-Fomax)
#print Iteration
# if Iteration%100==0:
# print Fo
# c=raw_input("helo")
if abs(Fo - Fomax) < 0.0005:
break
# if Iteration>10000:
# return [0.0,0.0],0.0
except:
print "error in olivine correction loop, fractionate.py"
return [0.0, 0.0], 0.0
#pdb.set_trace()
#oxide mole percent
Ox = SiO2melt / 60.08 + TiO2melt / 79.86 + Al2O3melt / 101.96 + FeOmelt / 71.84 + MnOmelt / 70.94 + MgOmelt / 40.3 + CaOmelt / 56.08 + Na2Omelt / 61.98 + K2Omelt / 94.2 + H2Omelt / 18.02 + Fe2O3melt / 159.59 #Cr2O3melt / 151.99 removed
moleSiO2 = SiO2melt / 60.08 / Ox * 100
moleTiO2 = TiO2melt / 79.86 / Ox * 100
moleAl2O3 = Al2O3melt / 101.96 / Ox * 100
#moleCr2O3 = Cr2O3melt / 151.99 / Ox * 100
moleFeO = FeOmelt / 71.84 / Ox * 100
moleMnO = MnOmelt / 70.94 / Ox * 100
moleMgO = MgOmelt / 40.3 / Ox * 100
moleCaO = CaOmelt / 56.08 / Ox * 100
moleNa2O = Na2Omelt / 61.98 / Ox * 100
moleK2O = K2Omelt / 94.2 / Ox * 100
moleH2O = H2Omelt / 18.02 / Ox * 100
moleFe2O3 = Fe2O3melt / (159.69 * Ox) * 100
SumOxmole = moleSiO2 + moleTiO2 + moleAl2O3 + moleFeO + moleMnO + moleMgO + moleCaO + moleNa2O + moleK2O + moleH2O + moleFe2O3 #+ moleCr2O3 removed
#ANHYDROUS cation mole percent
cat = moleSiO2 + moleTiO2 + moleAl2O3 * 2 + moleFeO + moleMnO + moleMgO + moleCaO + moleNa2O * 2 + moleK2O * 2 + moleFe2O3 * 2 # + moleCr2O3
Si = moleSiO2 / cat * 100
Ti = moleTiO2 / cat * 100
Al = moleAl2O3 * 2 / cat * 100
#Cr = moleCr2O3 * 2 / cat * 100
Fe2 = moleFeO / cat * 100
Mn = moleMnO / cat * 100
Mg = moleMgO / cat * 100
Ca = moleCaO / cat * 100
Na = moleNa2O * 2 / cat * 100
Ks = moleK2O * 2 / cat * 100
#?? No one for H2O
Fe3 = moleFe2O3 * 2 / cat * 100
catsum = Si + Ti + Al + Fe2 + Mn + Mg + Ca + Na + Ks + Fe3 #remover+Cr and +H
#Mole Species - Cin-Ty's formulation
Si4O8 = 0.25 * (moleSiO2 - 0.5 * (moleFeO + moleMgO + moleCaO + moleMnO) -
moleNa2O - moleK2O)
Ti4O8 = 0.25 * moleTiO2
Al163O8 = 3 / 8. * (moleAl2O3 - moleNa2O)
#Cr163O8 = 3 / 8 * moleCr2O3
Fe163O8 = 3 / 8. * moleFe2O3
Fe4Si2O8 = 0.25 * moleFeO
Mn4Si2O8 = 1 / 4. * moleMnO
Mg4Si2O8 = 1 / 4. * moleMgO
Ca4Si2O8 = 1 / 4. * moleCaO
Na2Al2Si2O8 = moleNa2O
K2Al2Si2O8 = moleK2O
H16O8 = 0.125 * moleH2O
sum8 = Si4O8 + Ti4O8 + Al163O8 + Fe163O8 + Fe4Si2O8 + Mg4Si2O8 + Mn4Si2O8 + Ca4Si2O8 + Na2Al2Si2O8 + K2Al2Si2O8 + H16O8 #+ Cr163O8
Sim = Si4O8 / sum8 * 100
Tim = Ti4O8 / sum8 * 100
Alm = Al163O8 / sum8 * 100
#Crm = Cr163O8 / sum8 * 100
FeIIIm = Fe163O8 / sum8 * 100
FeIIm = Fe4Si2O8 / sum8 * 100
Mnm = Mn4Si2O8 / sum8 * 100
Mgm = Mg4Si2O8 / sum8 * 100
Cam = Ca4Si2O8 / sum8 * 100
Nam = Na2Al2Si2O8 / sum8 * 100
Km = K2Al2Si2O8 / sum8 * 100
Hm = H16O8 / sum8 * 100
sum8b = Sim + Tim + Alm + FeIIIm + FeIIm + Mnm + Mgm + Cam + Nam + Km + Hm # + Crm
#CALCULATION OF PRESSURES AND TEMPERATURES
#PLee parameters
b0 = 4.019 #basic constant
b1 = -770 #temperature 1/T
b2 = 0.0058 #temperature T^0.5
b3 = 0.0165 #Fe
b4 = 0.0005 #Ca
b5 = 0.003 #water
#Putirka 2005 with Na, K, H2O
#T is in Celsius, P is GPa
#Tp = 3063.2 / (math.log(Fo * 100 * 2. / 3. / Mg) + 2.106193 - 0.019 * SiO2melt - 0.08 * (Na2Omelt + K2Omelt) + 0.028 * H2Omelt)
#Pa = 0.1 * (math.exp(0.00252 * Tp - 0.12 * SiO2melt + 5.027))
#PLee = (math.log(Sim) - b0 + b3 * FeIIm + b4 * Cam**2) / (b1 / (Tp + 273.15) + b2 * (Tp + 273.15)**0.5 - b5 * Hm)
# 'Putirka 2005 without compositional effects
# 'T is in Celsius, P is GPa
# If K = 0 Then Tpx = 0 Else Tpx = 4490.5 / (Log(Fo * 100 * 2 / 3 / Mg) + 2.02)
# If Tpx = 0 Then Pax = 0 Else Pax = 0.1 * Exp(0.00252 * Tpx - 0.12 * SiO2melt + 5.027)
# If Pax = 0 Then PLeex = 0 Else PLeex = (Log(Sim) - b0 + b3 * FeIIm + b4 * Cam ^ 2) / (b1 / (Tpx + 273.15) + b2 * (Tpx + 273.15) ^ 0.5 - b5 * Hm)
#
# ActiveCell.Offset(x, 79) = Tpx
# ActiveCell.Offset(x, 80) = PLeex
# ActiveCell.Offset(x, 81) = Pax
#
# 'Lee T-independent barometer
# c0 = 4.05
# c3 = 0.012
#
# If K = 0 Then PLeez = 0 Else PLeez = (Log(Sim) - c0 + c3 * FeIIm) / (c1 / (Mgm ^ (1 / 3)) + c2 * Mgm ^ (1 / 2))
#
# ActiveCell.Offset(x, 89) = PLeez
#
#LEE BAROMETER AND THERMOMETER
TLee = 916.45 + 13.68 * Mgm + 4580 / Sim - 0.509 * Hm * Mgm
PLeeTLee = (math.log(Sim) - b0 + b3 * FeIIm +
b4 * Cam**2) / (b1 / (TLee + 273.15) + b2 *
(TLee + 273.15)**0.5 - b5 * Hm)
return [TLee, PLeeTLee], TiO2melt
