#!pip install Thermobar
# Loading various python things
import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
import Thermobar as pt
# Setting plotting parameters
# This sets some plotting things
plt.rcParams["font.family"] = 'arial'
plt.rcParams["font.size"] =12
plt.rcParams["mathtext.default"] = "regular"
plt.rcParams["mathtext.fontset"] = "dejavusans"
plt.rcParams['patch.linewidth'] = 1
plt.rcParams['axes.linewidth'] = 1
plt.rcParams["xtick.direction"] = "in"
plt.rcParams["ytick.direction"] = "in"
plt.rcParams["ytick.direction"] = "in"
plt.rcParams["xtick.major.size"] = 6 # Sets length of ticks
plt.rcParams["ytick.major.size"] = 4 # Sets length of ticks
plt.rcParams["ytick.labelsize"] = 12 # Sets size of numbers on tick marks
plt.rcParams["xtick.labelsize"] = 12 # Sets size of numbers on tick marks
plt.rcParams["axes.titlesize"] = 14 # Overall title
plt.rcParams["axes.labelsize"] = 14 # Axes labels
out=pt.import_excel('Liquid_only_Thermometry.xlsx', sheet_name="Ol-Liq")
my_input=out['my_input']
myLiquids1=out['Liqs']
myOls1=out['Ols']
display(myOls1.head())
display(myLiquids1.head())
SiO2_Ol | TiO2_Ol | Al2O3_Ol | FeOt_Ol | MnO_Ol | MgO_Ol | CaO_Ol | Na2O_Ol | K2O_Ol | Cr2O3_Ol | NiO_Ol | Sample_ID_Ol | |
---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 40.5 | 0.02 | 0.08 | 12.40 | 0.17 | 47.4 | 0.30 | 0.0 | 0 | 0.03 | 0.0 | 0 |
1 | 41.3 | 0.03 | 0.11 | 9.59 | 0.14 | 50.2 | 0.31 | 0.0 | 0 | 0.00 | 0.0 | 1 |
2 | 39.7 | 0.05 | 0.11 | 15.60 | 0.18 | 44.5 | 0.31 | 0.0 | 0 | 0.03 | 0.0 | 2 |
3 | 40.5 | 0.05 | 0.10 | 13.20 | 0.18 | 46.8 | 0.29 | 0.0 | 0 | 0.02 | 0.0 | 3 |
4 | 40.5 | 0.00 | 0.10 | 9.41 | 0.10 | 49.3 | 0.31 | 0.0 | 0 | 0.00 | 0.0 | 4 |
SiO2_Liq | TiO2_Liq | Al2O3_Liq | FeOt_Liq | MnO_Liq | MgO_Liq | CaO_Liq | Na2O_Liq | K2O_Liq | Cr2O3_Liq | P2O5_Liq | H2O_Liq | Fe3Fet_Liq | NiO_Liq | CoO_Liq | CO2_Liq | Sample_ID_Liq | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 57.023602 | 0.623106 | 16.332899 | 4.36174 | 0.103851 | 4.19180 | 6.94858 | 3.59702 | 0.896895 | 0.000000 | 0.226584 | 5.59 | 0.2 | 0.0 | 0.0 | 0.0 | 0 |
1 | 57.658600 | 0.654150 | 17.194799 | 3.90621 | 0.084105 | 2.86892 | 5.91538 | 3.85948 | 1.018600 | 0.000000 | 0.214935 | 6.55 | 0.2 | 0.0 | 0.0 | 0.0 | 1 |
2 | 60.731201 | 0.862054 | 17.144199 | 4.07781 | 0.077488 | 2.50867 | 5.22075 | 4.45556 | 1.414160 | 0.000000 | 0.319638 | 3.14 | 0.2 | 0.0 | 0.0 | 0.0 | 2 |
3 | 61.532799 | 0.440860 | 16.508801 | 3.32990 | 0.037520 | 1.64150 | 4.34294 | 4.40860 | 1.407000 | 0.000000 | 0.215740 | 6.20 | 0.2 | 0.0 | 0.0 | 0.0 | 3 |
4 | 52.969101 | 0.803412 | 17.563000 | 5.93217 | 0.149472 | 3.78351 | 7.65110 | 3.80219 | 0.551178 | 0.037368 | 0.196182 | 6.58 | 0.2 | 0.0 | 0.0 | 0.0 | 4 |
H2O_Calc_Thermobar=pt.calculate_ol_liq_hygr(liq_comps=myLiquids1, ol_comps=myOls1,
equationH="H_Gavr2016")
H2O_Calc_Thermobar
0 2.030582 1 1.364482 2 0.344844 3 -0.344697 4 2.860205 5 1.508569 6 -1.769123 7 1.909273 8 0.834843 9 2.860872 dtype: float64
H2O_Calc_Thermobar=pt.calculate_ol_liq_hygr_matching(liq_comps=myLiquids1, ol_comps=myOls1,
equationH="H_Gavr2016", eq_tests=True,
T=1300)
H2O_Calc_Thermobar.head()
Considering N=10 Ol & N=10 Liqs, which is a total of N=100 Liq- Ol pairs, be patient if this is >>1 million! You have not selected a pressure, so we have calculated Toplis Kd at 1kbar
H2O_calc | Temp used for calcs | P used for calcs | Kd Meas | Kd calc (Toplis) | ΔKd, Toplis (M-P) | ΔKd, Roeder (M-P) | ΔKd, Matzen (M-P) | SiO2_Liq | TiO2_Liq | ... | ID_Ol | Si_Ol_cat_frac | Mg_Ol_cat_frac | Fet_Ol_cat_frac | Ca_Ol_cat_frac | Al_Ol_cat_frac | Na_Ol_cat_frac | K_Ol_cat_frac | Mn_Ol_cat_frac | Ti_Ol_cat_frac | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 2.030582 | 1300 | 1 | 0.314264 | 0.326180 | -0.011916 | 0.014264 | -0.025736 | 57.023602 | 0.623106 | ... | 0.0 | 0.331677 | 0.578691 | 0.084925 | 0.002632 | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 |
1 | 1.682297 | 1300 | 1 | 0.240169 | 0.327530 | -0.087362 | -0.059831 | -0.099831 | 57.658600 | 0.654150 | ... | 0.0 | 0.331677 | 0.578691 | 0.084925 | 0.002632 | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 |
2 | 0.704945 | 1300 | 1 | 0.201173 | 0.308546 | -0.107373 | -0.098827 | -0.138827 | 60.731201 | 0.862054 | ... | 0.0 | 0.331677 | 0.578691 | 0.084925 | 0.002632 | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 |
3 | -0.777583 | 1300 | 1 | 0.161199 | 0.312636 | -0.151436 | -0.138801 | -0.178801 | 61.532799 | 0.440860 | ... | 0.0 | 0.331677 | 0.578691 | 0.084925 | 0.002632 | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 |
4 | 3.105922 | 1300 | 1 | 0.208562 | 0.334102 | -0.125540 | -0.091438 | -0.131438 | 52.969101 | 0.803412 | ... | 0.0 | 0.331677 | 0.578691 | 0.084925 | 0.002632 | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 |
5 rows × 73 columns
H2O_Calc_Teq22=pt.calculate_ol_liq_hygr_matching(liq_comps=myLiquids1, ol_comps=myOls1,
equationH="H_Gavr2016", equationT='T_Put2008_eq22',
eq_tests=True, P=5,
T=1300)
H2O_Calc_Teq22.head()
Considering N=10 Ol & N=10 Liqs, which is a total of N=100 Liq- Ol pairs, be patient if this is >>1 million!
H2O_calc | T_K_calc | P used for calcs | Kd Meas | Kd calc (Toplis) | ΔKd, Toplis (M-P) | ΔKd, Roeder (M-P) | ΔKd, Matzen (M-P) | SiO2_Liq | TiO2_Liq | ... | Al_Ol_cat_frac | Na_Ol_cat_frac | K_Ol_cat_frac | Mn_Ol_cat_frac | Ti_Ol_cat_frac | DMg_Meas | CNML | CSiO2L | NF | Den_Beat93 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 2.030582 | 1306.094822 | 5 | 0.314264 | 0.331693 | -0.017429 | 0.014264 | -0.025736 | 57.023602 | 0.623106 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 9.490384 | 0.170076 | 0.556427 | -0.760264 | 9.813745 |
1 | 1.682297 | 1246.358585 | 5 | 0.240169 | 0.320346 | -0.080177 | -0.059831 | -0.099831 | 57.658600 | 0.654150 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 13.711088 | 0.137693 | 0.568999 | -0.815019 | 10.226597 |
2 | 0.704945 | 1278.487099 | 5 | 0.201173 | 0.308304 | -0.107131 | -0.098827 | -0.138827 | 60.731201 | 0.862054 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 16.264149 | 0.121869 | 0.577797 | -0.790522 | 10.330149 |
3 | -0.777583 | 1196.823888 | 5 | 0.161199 | 0.295190 | -0.133991 | -0.138801 | -0.178801 | 61.532799 | 0.440860 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 24.065168 | 0.097450 | 0.604665 | -0.765547 | 10.732471 |
4 | 3.105922 | 1265.970449 | 5 | 0.208562 | 0.331112 | -0.122550 | -0.091438 | -0.131438 | 52.969101 | 0.803412 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 10.410636 | 0.186517 | 0.522022 | -0.840343 | 10.135819 |
5 rows × 78 columns
fig, ((ax1, ax2, ax3)) = plt.subplots(1,3, figsize = (10,3), sharex=True) # adjust dimensions
ax1.hist(H2O_Calc_Teq22['ΔKd, Roeder (M-P)'], ec='k')
ax2.hist(H2O_Calc_Teq22['ΔKd, Toplis (M-P)'], ec='k')
ax3.hist(H2O_Calc_Teq22['ΔKd, Matzen (M-P)'], ec='k')
ax1.set_xlabel('ΔKd, Roeder (M-P)')
ax2.set_xlabel('ΔKd, Toplis (M-P)')
ax3.set_xlabel('ΔKd, Matzen (M-P)')
Text(0.5, 0, 'ΔKd, Matzen (M-P)')
H2O_Calc_Teq22_FiltRoedder=H2O_Calc_Teq22.loc[H2O_Calc_Teq22['ΔKd, Roeder (M-P)'].between(-0.03, 0.03)]
H2O_Calc_Teq22_FiltToplis=H2O_Calc_Teq22.loc[H2O_Calc_Teq22['ΔKd, Toplis (M-P)'].between(-0.03, 0.03)]
H2O_Calc_Teq22_FiltMatzen=H2O_Calc_Teq22.loc[H2O_Calc_Teq22['ΔKd, Matzen (M-P)'].between(-0.03, 0.03)]
plt.plot(H2O_Calc_Teq22_FiltRoedder['Al2O3_Ol'], H2O_Calc_Teq22_FiltRoedder['H2O_calc'], 'ok')
[<matplotlib.lines.Line2D at 0x1c0317ddd60>]
H2O_Calc_Thermobar=pt.calculate_ol_liq_hygr_matching(liq_comps=myLiquids1, ol_comps=myOls1,
equationH="H_Gavr2016", equationT="T_Put2008_eq22",
eq_tests=True)
H2O_Calc_Thermobar.head()
Considering N=10 Ol & N=10 Liqs, which is a total of N=100 Liq- Ol pairs, be patient if this is >>1 million! You have not selected a pressure, so we have calculated Toplis Kd at 1kbar
H2O_calc | T_K_calc | P used for calcs | Kd Meas | Kd calc (Toplis) | ΔKd, Toplis (M-P) | ΔKd, Roeder (M-P) | ΔKd, Matzen (M-P) | SiO2_Liq | TiO2_Liq | ... | Al_Ol_cat_frac | Na_Ol_cat_frac | K_Ol_cat_frac | Mn_Ol_cat_frac | Ti_Ol_cat_frac | DMg_Meas | CNML | CSiO2L | NF | Den_Beat93 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 2.030582 | 1285.005221 | 1 | 0.314264 | 0.323039 | -0.008775 | 0.014264 | -0.025736 | 57.023602 | 0.623106 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 9.490384 | 0.170076 | 0.556427 | -0.760264 | 9.813745 |
1 | 1.682297 | 1225.765914 | 1 | 0.240169 | 0.311488 | -0.071319 | -0.059831 | -0.099831 | 57.658600 | 0.654150 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 13.711088 | 0.137693 | 0.568999 | -0.815019 | 10.226597 |
2 | 0.704945 | 1257.615992 | 1 | 0.201173 | 0.300042 | -0.098869 | -0.098827 | -0.138827 | 60.731201 | 0.862054 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 16.264149 | 0.121869 | 0.577797 | -0.790522 | 10.330149 |
3 | -0.777583 | 1176.711359 | 1 | 0.161199 | 0.286619 | -0.125420 | -0.138801 | -0.178801 | 61.532799 | 0.440860 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 24.065168 | 0.097450 | 0.604665 | -0.765547 | 10.732471 |
4 | 3.105922 | 1245.204726 | 1 | 0.208562 | 0.322130 | -0.113568 | -0.091438 | -0.131438 | 52.969101 | 0.803412 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 10.410636 | 0.186517 | 0.522022 | -0.840343 | 10.135819 |
5 rows × 78 columns
CalcH2O=pt.calculate_ol_liq_hygr(meltmatch=H2O_Calc_Thermobar,
equationH="H_Gavr2016", P=5, T=1300)
CalcH2O
Column already exists in dataframe. Have ovewritten
H2O_Calc_Thermobar.head()
H2O_calc | T_K_calc | P used for calcs | Kd Meas | Kd calc (Toplis) | ΔKd, Toplis (M-P) | ΔKd, Roeder (M-P) | ΔKd, Matzen (M-P) | SiO2_Liq | TiO2_Liq | ... | Al_Ol_cat_frac | Na_Ol_cat_frac | K_Ol_cat_frac | Mn_Ol_cat_frac | Ti_Ol_cat_frac | DMg_Meas | CNML | CSiO2L | NF | Den_Beat93 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 2.030582 | 1285.005221 | 1 | 0.314264 | 0.323039 | -0.008775 | 0.014264 | -0.025736 | 57.023602 | 0.623106 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 9.490384 | 0.170076 | 0.556427 | -0.760264 | 9.813745 |
1 | 1.682297 | 1225.765914 | 1 | 0.240169 | 0.311488 | -0.071319 | -0.059831 | -0.099831 | 57.658600 | 0.654150 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 13.711088 | 0.137693 | 0.568999 | -0.815019 | 10.226597 |
2 | 0.704945 | 1257.615992 | 1 | 0.201173 | 0.300042 | -0.098869 | -0.098827 | -0.138827 | 60.731201 | 0.862054 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 16.264149 | 0.121869 | 0.577797 | -0.790522 | 10.330149 |
3 | -0.777583 | 1176.711359 | 1 | 0.161199 | 0.286619 | -0.125420 | -0.138801 | -0.178801 | 61.532799 | 0.440860 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 24.065168 | 0.097450 | 0.604665 | -0.765547 | 10.732471 |
4 | 3.105922 | 1245.204726 | 1 | 0.208562 | 0.322130 | -0.113568 | -0.091438 | -0.131438 | 52.969101 | 0.803412 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 10.410636 | 0.186517 | 0.522022 | -0.840343 | 10.135819 |
5 rows × 78 columns
Liq_Ols=H2O_Calc_Thermobar
import inspect
func = pt.Liquid_olivine_hygr_funcs_by_name["H_Gavr2016"]
sig=inspect.signature(func)
kwargs = {name: Liq_Ols[name] for name, p in sig.parameters.items() if p.kind == inspect.Parameter.KEYWORD_ONLY}
H2O_Calc_np=func(**kwargs)
H2O_Calc_np
array([ 2.03058223, 1.68229723, 0.70494526, -0.77758337, 3.10592163, 2.61247201, 1.7569024 , 2.65237953, 2.97082766, 3.4382364 , 1.76002335, 1.36448163, 0.34484373, -1.21046986, 2.86020533, 2.33649615, 1.43635461, 2.40467736, 2.70382963, 3.24578146, 1.76002335, 1.36448163, 0.34484373, -1.21046986, 2.86020533, 2.33649615, 1.43635461, 2.40467736, 2.70382963, 3.24578146, 2.30114112, 2.00011282, 1.06504679, -0.34469688, 3.35163792, 2.88844787, 2.07745018, 2.9000817 , 3.2378257 , 3.63069135, 1.76002335, 1.36448163, 0.34484373, -1.21046986, 2.86020533, 2.33649615, 1.43635461, 2.40467736, 2.70382963, 3.24578146, 0.94834669, 0.41103486, -0.73546085, -2.50912934, 2.12305644, 1.50856857, 0.47471126, 1.66157084, 1.90283551, 2.66841664, -0.9455655 , -1.81367429, -3.25617155, -5.53933479, 0.40304236, -0.42326244, -1.76912324, -0.07234437, 0.03384924, 1.32123206, 1.21890558, 0.72885045, -0.37535933, -2.07624285, 2.36877274, 1.78454443, 0.79525904, 1.90927301, 2.16983355, 2.86087158, -0.13388885, -0.86022751, -2.17586697, -4.24067531, 1.14019125, 0.40466514, -0.80747988, 0.67076215, 0.83484336, 1.89859688, 1.21890558, 0.72885045, -0.37535933, -2.07624285, 2.36877274, 1.78454443, 0.79525904, 1.90927301, 2.16983355, 2.86087158])
H2O_Calc_Thermobar_eqTest1=pt.calculate_ol_liq_hygr(liq_comps=myLiquids1, ol_comps=myOls1,
equationH="H_Gavr2016", eq_tests=True, P=1, T=1300)
H2O_Calc_Thermobar_eqTest1
H2O_calc | Temp used for calcs | P used for calcs | Kd Meas | Kd calc (Toplis) | ΔKd, Toplis (M-P) | ΔKd, Roeder (M-P) | ΔKd, Matzen (M-P) | SiO2_Ol | TiO2_Ol | ... | Mg_Number_Liq_Fe3 | Si_Ol_cat_frac | Mg_Ol_cat_frac | Fet_Ol_cat_frac | Ca_Ol_cat_frac | Al_Ol_cat_frac | Na_Ol_cat_frac | K_Ol_cat_frac | Mn_Ol_cat_frac | Ti_Ol_cat_frac | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 2.030582 | 1300 | 1 | 0.314264 | 0.326180 | -0.011916 | 0.014264 | -0.025736 | 40.5 | 0.02 | ... | 0.681666 | 0.331677 | 0.578691 | 0.084925 | 0.002632 | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 |
1 | 1.364482 | 1300 | 1 | 0.175383 | 0.321910 | -0.146527 | -0.124617 | -0.164617 | 41.3 | 0.03 | ... | 0.620707 | 0.331038 | 0.599846 | 0.064284 | 0.002662 | 0.001039 | 0.0 | 0.0 | 0.000950 | 0.000181 |
2 | 0.344844 | 1300 | 1 | 0.269582 | 0.314838 | -0.045256 | -0.030418 | -0.070418 | 39.7 | 0.05 | ... | 0.578196 | 0.331560 | 0.554039 | 0.108956 | 0.002774 | 0.001083 | 0.0 | 0.0 | 0.001273 | 0.000314 |
3 | -0.344697 | 1300 | 1 | 0.173799 | 0.314138 | -0.140339 | -0.126201 | -0.166201 | 40.5 | 0.05 | ... | 0.523445 | 0.332170 | 0.572216 | 0.090539 | 0.002548 | 0.000967 | 0.0 | 0.0 | 0.001250 | 0.000309 |
4 | 2.860205 | 1300 | 1 | 0.152172 | 0.328355 | -0.176184 | -0.147828 | -0.187828 | 40.5 | 0.00 | ... | 0.586967 | 0.330886 | 0.600452 | 0.064294 | 0.002714 | 0.000963 | 0.0 | 0.0 | 0.000692 | 0.000000 |
5 | 1.508569 | 1300 | 1 | 0.159554 | 0.332767 | -0.173213 | -0.140446 | -0.180446 | 40.5 | 0.02 | ... | 0.565465 | 0.331178 | 0.591229 | 0.072488 | 0.002979 | 0.000964 | 0.0 | 0.0 | 0.001039 | 0.000123 |
6 | -1.769123 | 1300 | 1 | 0.215915 | 0.342292 | -0.126376 | -0.084085 | -0.124085 | 40.2 | 0.04 | ... | 0.528731 | 0.334056 | 0.552506 | 0.106326 | 0.003650 | 0.002155 | 0.0 | 0.0 | 0.001056 | 0.000250 |
7 | 1.909273 | 1300 | 1 | 0.404699 | 0.412296 | -0.007597 | 0.104699 | 0.064699 | 39.6 | 0.04 | ... | 0.620033 | 0.333016 | 0.530297 | 0.131513 | 0.002973 | 0.000595 | 0.0 | 0.0 | 0.001353 | 0.000253 |
8 | 0.834843 | 1300 | 1 | 0.314115 | 0.391918 | -0.077802 | 0.014115 | -0.025885 | 39.8 | 0.05 | ... | 0.583864 | 0.334067 | 0.539307 | 0.120735 | 0.003417 | 0.000594 | 0.0 | 0.0 | 0.001564 | 0.000316 |
9 | 2.860872 | 1300 | 1 | 0.429135 | 0.289064 | 0.140072 | 0.129135 | 0.089135 | 39.7 | 0.03 | ... | 0.665729 | 0.330714 | 0.546417 | 0.117735 | 0.002945 | 0.000589 | 0.0 | 0.0 | 0.001411 | 0.000188 |
10 rows × 70 columns
InEq=H2O_Calc_Thermobar_eqTest1.loc[H2O_Calc_Thermobar_eqTest1['ΔKd, Roeder (M-P)']<0.1]
InEq
H2O_calc | Temp used for calcs | P used for calcs | Kd Meas | Kd calc (Toplis) | ΔKd, Toplis (M-P) | ΔKd, Roeder (M-P) | ΔKd, Matzen (M-P) | SiO2_Ol | TiO2_Ol | ... | Mg_Number_Liq_Fe3 | Si_Ol_cat_frac | Mg_Ol_cat_frac | Fet_Ol_cat_frac | Ca_Ol_cat_frac | Al_Ol_cat_frac | Na_Ol_cat_frac | K_Ol_cat_frac | Mn_Ol_cat_frac | Ti_Ol_cat_frac | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 2.030582 | 1300 | 1 | 0.314264 | 0.326180 | -0.011916 | 0.014264 | -0.025736 | 40.5 | 0.02 | ... | 0.681666 | 0.331677 | 0.578691 | 0.084925 | 0.002632 | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 |
1 | 1.364482 | 1300 | 1 | 0.175383 | 0.321910 | -0.146527 | -0.124617 | -0.164617 | 41.3 | 0.03 | ... | 0.620707 | 0.331038 | 0.599846 | 0.064284 | 0.002662 | 0.001039 | 0.0 | 0.0 | 0.000950 | 0.000181 |
2 | 0.344844 | 1300 | 1 | 0.269582 | 0.314838 | -0.045256 | -0.030418 | -0.070418 | 39.7 | 0.05 | ... | 0.578196 | 0.331560 | 0.554039 | 0.108956 | 0.002774 | 0.001083 | 0.0 | 0.0 | 0.001273 | 0.000314 |
3 | -0.344697 | 1300 | 1 | 0.173799 | 0.314138 | -0.140339 | -0.126201 | -0.166201 | 40.5 | 0.05 | ... | 0.523445 | 0.332170 | 0.572216 | 0.090539 | 0.002548 | 0.000967 | 0.0 | 0.0 | 0.001250 | 0.000309 |
4 | 2.860205 | 1300 | 1 | 0.152172 | 0.328355 | -0.176184 | -0.147828 | -0.187828 | 40.5 | 0.00 | ... | 0.586967 | 0.330886 | 0.600452 | 0.064294 | 0.002714 | 0.000963 | 0.0 | 0.0 | 0.000692 | 0.000000 |
5 | 1.508569 | 1300 | 1 | 0.159554 | 0.332767 | -0.173213 | -0.140446 | -0.180446 | 40.5 | 0.02 | ... | 0.565465 | 0.331178 | 0.591229 | 0.072488 | 0.002979 | 0.000964 | 0.0 | 0.0 | 0.001039 | 0.000123 |
6 | -1.769123 | 1300 | 1 | 0.215915 | 0.342292 | -0.126376 | -0.084085 | -0.124085 | 40.2 | 0.04 | ... | 0.528731 | 0.334056 | 0.552506 | 0.106326 | 0.003650 | 0.002155 | 0.0 | 0.0 | 0.001056 | 0.000250 |
8 | 0.834843 | 1300 | 1 | 0.314115 | 0.391918 | -0.077802 | 0.014115 | -0.025885 | 39.8 | 0.05 | ... | 0.583864 | 0.334067 | 0.539307 | 0.120735 | 0.003417 | 0.000594 | 0.0 | 0.0 | 0.001564 | 0.000316 |
8 rows × 70 columns
H2O_Calc_Thermobar_eqTest2=pt.calculate_ol_liq_hygr(liq_comps=myLiquids1, ol_comps=myOls1,
equationH="H_Gavr2016", eq_tests=True, P=1, equationT="T_Put2008_eq22")
H2O_Calc_Thermobar_eqTest2
H2O_calc | T_K_calc | P used for calcs | Kd Meas | Kd calc (Toplis) | ΔKd, Toplis (M-P) | ΔKd, Roeder (M-P) | ΔKd, Matzen (M-P) | SiO2_Ol | TiO2_Ol | ... | Al_Ol_cat_frac | Na_Ol_cat_frac | K_Ol_cat_frac | Mn_Ol_cat_frac | Ti_Ol_cat_frac | DMg_Meas | CNML | CSiO2L | NF | Den_Beat93 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 2.030582 | 1285.005221 | 1 | 0.314264 | 0.323039 | -0.008775 | 0.014264 | -0.025736 | 40.5 | 0.02 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 9.490384 | 0.170076 | 0.556427 | -0.760264 | 9.813745 |
1 | 1.364482 | 1219.815185 | 1 | 0.175383 | 0.304486 | -0.129103 | -0.124617 | -0.164617 | 41.3 | 0.03 | ... | 0.001039 | 0.0 | 0.0 | 0.000950 | 0.000181 | 14.212311 | 0.137693 | 0.568999 | -0.815019 | 10.298404 |
2 | 0.344844 | 1265.431802 | 1 | 0.269582 | 0.307956 | -0.038374 | -0.030418 | -0.070418 | 39.7 | 0.05 | ... | 0.001083 | 0.0 | 0.0 | 0.001273 | 0.000314 | 15.571306 | 0.121869 | 0.577797 | -0.790522 | 10.243083 |
3 | -0.344697 | 1178.402781 | 1 | 0.173799 | 0.288518 | -0.114719 | -0.126201 | -0.166201 | 40.5 | 0.05 | ... | 0.000967 | 0.0 | 0.0 | 0.001250 | 0.000309 | 23.795917 | 0.097450 | 0.604665 | -0.765547 | 10.709968 |
4 | 2.860205 | 1238.836216 | 1 | 0.152172 | 0.314913 | -0.162742 | -0.147828 | -0.187828 | 40.5 | 0.00 | ... | 0.000963 | 0.0 | 0.0 | 0.000692 | 0.000000 | 10.802119 | 0.186517 | 0.522022 | -0.840343 | 10.209647 |
5 | 1.508569 | 1224.693789 | 1 | 0.159554 | 0.316022 | -0.156468 | -0.140446 | -0.180446 | 40.5 | 0.02 | ... | 0.000964 | 0.0 | 0.0 | 0.001039 | 0.000123 | 12.298898 | 0.167758 | 0.532846 | -0.831744 | 10.289637 |
6 | -1.769123 | 1221.171616 | 1 | 0.215915 | 0.324840 | -0.108924 | -0.084085 | -0.124085 | 40.2 | 0.04 | ... | 0.002155 | 0.0 | 0.0 | 0.001056 | 0.000250 | 14.115866 | 0.145510 | 0.546226 | -0.818818 | 10.317328 |
7 | 1.909273 | 1179.473286 | 1 | 0.404699 | 0.380321 | 0.024377 | 0.104699 | 0.064699 | 39.6 | 0.04 | ... | 0.000595 | 0.0 | 0.0 | 0.001353 | 0.000253 | 7.372863 | 0.220036 | 0.554167 | -0.789435 | 9.844920 |
8 | 0.834843 | 1142.994309 | 1 | 0.314115 | 0.351192 | -0.037077 | 0.014115 | -0.025885 | 39.8 | 0.05 | ... | 0.000594 | 0.0 | 0.0 | 0.001564 | 0.000316 | 10.512978 | 0.180240 | 0.551142 | -0.873211 | 10.228352 |
9 | 2.860872 | 1318.154242 | 1 | 0.429135 | 0.292274 | 0.136862 | 0.129135 | 0.089135 | 39.7 | 0.03 | ... | 0.000589 | 0.0 | 0.0 | 0.001411 | 0.000188 | 7.071114 | 0.228369 | 0.498136 | -0.840454 | 9.673521 |
10 rows × 75 columns
H2O_Calc_Thermobar_eqTest3=pt.calculate_ol_liq_hygr(liq_comps=myLiquids1, ol_comps=myOls1,
equationH="H_Gavr2016", eq_tests=True,
P=1, equationT="T_Put2008_eq22", Fe3Fet_Liq=0.3)
H2O_Calc_Thermobar_eqTest3
H2O_calc | T_K_calc | P used for calcs | Kd Meas | Kd calc (Toplis) | ΔKd, Toplis (M-P) | ΔKd, Roeder (M-P) | ΔKd, Matzen (M-P) | SiO2_Ol | TiO2_Ol | ... | Al_Ol_cat_frac | Na_Ol_cat_frac | K_Ol_cat_frac | Mn_Ol_cat_frac | Ti_Ol_cat_frac | DMg_Meas | CNML | CSiO2L | NF | Den_Beat93 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 2.030582 | 1285.005221 | 1 | 0.359158 | 0.323039 | 0.036120 | 0.059158 | 0.019158 | 40.5 | 0.02 | ... | 0.000772 | 0.0 | 0.0 | 0.001179 | 0.000123 | 9.490384 | 0.170076 | 0.556427 | -0.760264 | 9.813745 |
1 | 1.364482 | 1219.815185 | 1 | 0.200438 | 0.304486 | -0.104048 | -0.099562 | -0.139562 | 41.3 | 0.03 | ... | 0.001039 | 0.0 | 0.0 | 0.000950 | 0.000181 | 14.212311 | 0.137693 | 0.568999 | -0.815019 | 10.298404 |
2 | 0.344844 | 1265.431802 | 1 | 0.308094 | 0.307956 | 0.000138 | 0.008094 | -0.031906 | 39.7 | 0.05 | ... | 0.001083 | 0.0 | 0.0 | 0.001273 | 0.000314 | 15.571306 | 0.121869 | 0.577797 | -0.790522 | 10.243083 |
3 | -0.344697 | 1178.402781 | 1 | 0.198628 | 0.288518 | -0.089891 | -0.101372 | -0.141372 | 40.5 | 0.05 | ... | 0.000967 | 0.0 | 0.0 | 0.001250 | 0.000309 | 23.795917 | 0.097450 | 0.604665 | -0.765547 | 10.709968 |
4 | 2.860205 | 1238.836216 | 1 | 0.173911 | 0.314913 | -0.141003 | -0.126089 | -0.166089 | 40.5 | 0.00 | ... | 0.000963 | 0.0 | 0.0 | 0.000692 | 0.000000 | 10.802119 | 0.186517 | 0.522022 | -0.840343 | 10.209647 |
5 | 1.508569 | 1224.693789 | 1 | 0.182347 | 0.316022 | -0.133675 | -0.117653 | -0.157653 | 40.5 | 0.02 | ... | 0.000964 | 0.0 | 0.0 | 0.001039 | 0.000123 | 12.298898 | 0.167758 | 0.532846 | -0.831744 | 10.289637 |
6 | -1.769123 | 1221.171616 | 1 | 0.246761 | 0.324840 | -0.078079 | -0.053239 | -0.093239 | 40.2 | 0.04 | ... | 0.002155 | 0.0 | 0.0 | 0.001056 | 0.000250 | 14.115866 | 0.145510 | 0.546226 | -0.818818 | 10.317328 |
7 | 1.909273 | 1179.473286 | 1 | 0.462513 | 0.380321 | 0.082191 | 0.162513 | 0.122513 | 39.6 | 0.04 | ... | 0.000595 | 0.0 | 0.0 | 0.001353 | 0.000253 | 7.372863 | 0.220036 | 0.554167 | -0.789435 | 9.844920 |
8 | 0.834843 | 1142.994309 | 1 | 0.358989 | 0.351192 | 0.007797 | 0.058989 | 0.018989 | 39.8 | 0.05 | ... | 0.000594 | 0.0 | 0.0 | 0.001564 | 0.000316 | 10.512978 | 0.180240 | 0.551142 | -0.873211 | 10.228352 |
9 | 2.860872 | 1318.154242 | 1 | 0.490441 | 0.292274 | 0.198167 | 0.190441 | 0.150441 | 39.7 | 0.03 | ... | 0.000589 | 0.0 | 0.0 | 0.001411 | 0.000188 | 7.071114 | 0.228369 | 0.498136 | -0.840454 | 9.673521 |
10 rows × 75 columns