This page was generated from docs/Examples/Amphibole/Amp_Liq_Melt_Matching.ipynb. Interactive online version: .

Amp-Liq Melt mathcing

This workbook demonstrates how to do Amp-Liq melt matching https://github.com/PennyWieser/Thermobar/blob/main/docs/Examples/Amphibole/Amphibole_Liquids.xlsx

You need to install Thermobar once on your machine, if you haven’t done this yet, uncomment the line below (remove the #)

[1]:

#!pip install Thermobar

Load python things

[2]:

import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
import Thermobar as pt
pd.options.display.max_columns = None

Load data

[3]:

out1=pt.import_excel('Amphibole_Liquids.xlsx', sheet_name="Amp")
Amps=out1['Amps']
out2=pt.import_excel('Amphibole_Liquids.xlsx', sheet_name="Liq")
Liqs=out2['Liqs']

Checking data read in correctly (check no columns are full of zeros that you think you inputted)

[4]:

display(Amps.head())
display(Liqs.head())

	SiO2_Amp	TiO2_Amp	Al2O3_Amp	FeOt_Amp	MnO_Amp	MgO_Amp	CaO_Amp	Na2O_Amp	K2O_Amp	Cr2O3_Amp	Sample_ID_Amp
0	40.57	2.45	12.82	13.11	0.26	13.02	11.63	2.20	0.92	0.00	probe1
1	39.45	1.88	10.80	11.85	0.00	11.32	10.94	2.04	0.75	0.00	probe2
2	42.88	3.46	14.28	15.99	0.54	14.25	12.12	2.43	1.18	0.03	probe3
3	42.20	2.75	11.10	13.10	0.39	13.55	11.07	2.27	0.95	0.01	probe4
4	40.37	2.28	10.06	11.76	0.19	12.41	10.40	2.09	0.82	0.00	probe5

	SiO2_Liq	TiO2_Liq	Al2O3_Liq	FeOt_Liq	MnO_Liq	MgO_Liq	CaO_Liq	Na2O_Liq	K2O_Liq	P2O5_Liq	H2O_Liq	Sample_ID_Liq
0	62.317403	0.592583	17.015042	5.578974	0.147384	1.493784	5.199067	3.799517	3.840125	0.320967	5	probe_s2_1
1	63.410655	0.567627	16.682223	5.211648	0.139473	1.343074	4.680291	3.797226	4.118336	0.320854	5	probe_s2_2
2	64.978351	0.531840	16.204967	4.684912	0.128130	1.126960	3.936379	3.793940	4.517285	0.320691	5	probe_s2_3
3	60.953715	0.623712	17.430191	6.037164	0.157251	1.681775	5.846172	3.802375	3.493093	0.321109	5	probe_s2_4
4	60.188394	0.641183	17.663178	6.294307	0.162789	1.787278	6.209337	3.803979	3.298333	0.321189	5	probe_s2_5

Assessing all possible Amp-Liq matches

[11]:

dict_out=pt.calculate_amp_liq_press_temp_matching(liq_comps=Liqs, amp_comps=Amps, equationT="T_Put2016_eq4b",
equationP="P_Put2016_eq7a",Kd_Match=0.28, Kd_Err=0.11, return_all_pairs=False)

Note - Putirka 2016 spreadsheet calculates H2O using a H2O-solubility law of uncertian origin based on the pressure calculated for 7a, and iterates H2O and P. We dont do this, as we dont believe a pure h2o model is necessarily valid as you may be mixed fluid saturated or undersaturated. We recomend instead you choose a reasonable H2O content based on your system.
Considering N=22 Amp & N=6 Liqs, which is a total of N=132 Amp-Liq pairs, be patient if this is >>1 million!
Youve selected a P-independent function
Youve selected a T-independent function
Done!!! I found a total of N=114 Amp-Liq matches using the specified filter. N=20 Amp out of the N=22 Amp that you input matched to 1 or more liquids

This returns the average PT for each amphibole

[12]:

dict_out['Av_PTs'].head()

[12]:

	Sample_ID_Amp	# of Liqs Averaged	Mean_T_K_calc	Std_T_K_calc	Mean_P_kbar_calc	Std_P_kbar_calc	ID_AMP	Mean_Sample_ID_Amp	Mean_SiO2_Liq	Mean_SiO2_Liq	Mean_TiO2_Liq	Mean_TiO2_Liq	Mean_Al2O3_Liq	Mean_Al2O3_Liq	Mean_FeOt_Liq	Mean_FeOt_Liq	Mean_MnO_Liq	Mean_MnO_Liq	Mean_MgO_Liq	Mean_MgO_Liq	Mean_CaO_Liq	Mean_CaO_Liq	Mean_Na2O_Liq	Mean_Na2O_Liq	Mean_K2O_Liq	Mean_K2O_Liq	Mean_P2O5_Liq	Mean_P2O5_Liq	Mean_H2O_Liq	Mean_H2O_Liq	Mean_ID_Liq	Mean_ID_Liq	Mean_SiO2_Liq_mol_frac_hyd	Mean_MgO_Liq_mol_frac_hyd	Mean_MnO_Liq_mol_frac_hyd	Mean_FeOt_Liq_mol_frac_hyd	Mean_CaO_Liq_mol_frac_hyd	Mean_Al2O3_Liq_mol_frac_hyd	Mean_Na2O_Liq_mol_frac_hyd	Mean_K2O_Liq_mol_frac_hyd	Mean_TiO2_Liq_mol_frac_hyd	Mean_P2O5_Liq_mol_frac_hyd	Mean_H2O_Liq_mol_frac_hyd	Mean_Si_Liq_cat_frac_hyd	Mean_Mg_Liq_cat_frac_hyd	Mean_Mn_Liq_cat_frac_hyd	Mean_Fet_Liq_cat_frac_hyd	Mean_Ca_Liq_cat_frac_hyd	Mean_Al_Liq_cat_frac_hyd	Mean_Na_Liq_cat_frac_hyd	Mean_K_Liq_cat_frac_hyd	Mean_Ti_Liq_cat_frac_hyd	Mean_P_Liq_cat_frac_hyd	Mean_H2O_Liq_cat_frac_hyd	Mean_Fe2_Liq_cat_frac_hyd	Mean_Mg_Number_Liq_NoFe3	Mean_Mg_Number_Liq_NoFe3	Mean_Mg_Number_Liq_Fe3	Mean_Mg_Number_Liq_Fe3	Mean_SiO2_Liq	Mean_SiO2_Liq	Mean_TiO2_Liq	Mean_TiO2_Liq	Mean_Al2O3_Liq	Mean_Al2O3_Liq	Mean_FeOt_Liq	Mean_FeOt_Liq	Mean_MnO_Liq	Mean_MnO_Liq	Mean_MgO_Liq	Mean_MgO_Liq	Mean_CaO_Liq	Mean_CaO_Liq	Mean_Na2O_Liq	Mean_Na2O_Liq	Mean_K2O_Liq	Mean_K2O_Liq	Mean_P2O5_Liq	Mean_P2O5_Liq	Mean_H2O_Liq	Mean_H2O_Liq	Mean_ID_Liq	Mean_ID_Liq	Mean_SiO2_Liq_mol_frac	Mean_MgO_Liq_mol_frac	Mean_MnO_Liq_mol_frac	Mean_FeOt_Liq_mol_frac	Mean_CaO_Liq_mol_frac	Mean_Al2O3_Liq_mol_frac	Mean_Na2O_Liq_mol_frac	Mean_K2O_Liq_mol_frac	Mean_TiO2_Liq_mol_frac	Mean_P2O5_Liq_mol_frac	Mean_Si_Liq_cat_frac	Mean_Mg_Liq_cat_frac	Mean_Mn_Liq_cat_frac	Mean_Fet_Liq_cat_frac	Mean_Ca_Liq_cat_frac	Mean_Al_Liq_cat_frac	Mean_Na_Liq_cat_frac	Mean_K_Liq_cat_frac	Mean_Ti_Liq_cat_frac	Mean_P_Liq_cat_frac	Mean_Mg_Number_Liq_NoFe3	Mean_Mg_Number_Liq_NoFe3	Mean_Mg_Number_Liq_Fe3	Mean_Mg_Number_Liq_Fe3	Std_Sample_ID_Amp	Std_SiO2_Liq	Std_SiO2_Liq	Std_TiO2_Liq	Std_TiO2_Liq	Std_Al2O3_Liq	Std_Al2O3_Liq	Std_FeOt_Liq	Std_FeOt_Liq	Std_MnO_Liq	Std_MnO_Liq	Std_MgO_Liq	Std_MgO_Liq	Std_CaO_Liq	Std_CaO_Liq	Std_Na2O_Liq	Std_Na2O_Liq	Std_K2O_Liq	Std_K2O_Liq	Std_P2O5_Liq	Std_P2O5_Liq	Std_ID_Liq	Std_ID_Liq	Std_SiO2_Liq_mol_frac_hyd	Std_MgO_Liq_mol_frac_hyd	Std_MnO_Liq_mol_frac_hyd	Std_FeOt_Liq_mol_frac_hyd	Std_CaO_Liq_mol_frac_hyd	Std_Al2O3_Liq_mol_frac_hyd	Std_Na2O_Liq_mol_frac_hyd	Std_K2O_Liq_mol_frac_hyd	Std_TiO2_Liq_mol_frac_hyd	Std_P2O5_Liq_mol_frac_hyd	Std_H2O_Liq_mol_frac_hyd	Std_Si_Liq_cat_frac_hyd	Std_Mg_Liq_cat_frac_hyd	Std_Mn_Liq_cat_frac_hyd	Std_Fet_Liq_cat_frac_hyd	Std_Ca_Liq_cat_frac_hyd	Std_Al_Liq_cat_frac_hyd	Std_Na_Liq_cat_frac_hyd	Std_K_Liq_cat_frac_hyd	Std_Ti_Liq_cat_frac_hyd	Std_P_Liq_cat_frac_hyd	Std_H2O_Liq_cat_frac_hyd	Std_Fe2_Liq_cat_frac_hyd	Std_Mg_Number_Liq_NoFe3	Std_Mg_Number_Liq_NoFe3	Std_Mg_Number_Liq_Fe3	Std_Mg_Number_Liq_Fe3	Std_SiO2_Liq	Std_SiO2_Liq	Std_TiO2_Liq	Std_TiO2_Liq	Std_Al2O3_Liq	Std_Al2O3_Liq	Std_FeOt_Liq	Std_FeOt_Liq	Std_MnO_Liq	Std_MnO_Liq	Std_MgO_Liq	Std_MgO_Liq	Std_CaO_Liq	Std_CaO_Liq	Std_Na2O_Liq	Std_Na2O_Liq	Std_K2O_Liq	Std_K2O_Liq	Std_P2O5_Liq	Std_P2O5_Liq	Std_ID_Liq	Std_ID_Liq	Std_SiO2_Liq_mol_frac	Std_MgO_Liq_mol_frac	Std_MnO_Liq_mol_frac	Std_FeOt_Liq_mol_frac	Std_CaO_Liq_mol_frac	Std_Al2O3_Liq_mol_frac	Std_Na2O_Liq_mol_frac	Std_K2O_Liq_mol_frac	Std_TiO2_Liq_mol_frac	Std_P2O5_Liq_mol_frac	Std_Si_Liq_cat_frac	Std_Mg_Liq_cat_frac	Std_Mn_Liq_cat_frac	Std_Fet_Liq_cat_frac	Std_Ca_Liq_cat_frac	Std_Al_Liq_cat_frac	Std_Na_Liq_cat_frac	Std_K_Liq_cat_frac	Std_Ti_Liq_cat_frac	Std_P_Liq_cat_frac	Std_Mg_Number_Liq_NoFe3	Std_Mg_Number_Liq_NoFe3	Std_Mg_Number_Liq_Fe3	Std_Mg_Number_Liq_Fe3
0	probe1	6	1200.539151	10.916860	6.165268	0.015728	0	probe1	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.578023	0.020011	0.001136	0.042327	0.050073	0.092094	0.034002	0.023049	0.004069	0.001254	0.153962	0.443147	0.015341	0.000871	0.03245	0.038388	0.141209	0.052135	0.035341	0.00312	0.001923	0.236073	0.03245	0.319569	0.319569	0.319569	0.319569	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.683214	0.023652	0.001343	0.050028	0.059184	0.108853	0.040189	0.027243	0.00481	0.001483	0.580095	0.020082	0.00114	0.042476	0.05025	0.184845	0.068247	0.046264	0.004084	0.002518	0.319569	0.319569	0.319569	0.319569	probe1	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.017042	0.003416	0.000102	0.004661	0.00845	0.002935	0.000013	0.002722	0.000284	4.867091e-08	0.000096	0.01311	0.002617	0.000078	0.00357	0.006475	0.004487	0.000014	0.004178	0.000217	2.657463e-07	0.000171	0.00357	0.01341	0.01341	0.01341	0.01341	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.020221	0.004035	0.00012	0.005503	0.009981	0.003457	0.00001	0.003221	0.000335	2.255172e-07	0.01729	0.003421	0.000102	0.004664	0.008464	0.005832	0.000003	0.005479	0.000284	9.099756e-07	0.01341	0.01341	0.01341	0.01341
1	probe2	6	1194.006260	10.763558	4.808047	0.015728	1	probe2	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.578023	0.020011	0.001136	0.042327	0.050073	0.092094	0.034002	0.023049	0.004069	0.001254	0.153962	0.443147	0.015341	0.000871	0.03245	0.038388	0.141209	0.052135	0.035341	0.00312	0.001923	0.236073	0.03245	0.319569	0.319569	0.319569	0.319569	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.683214	0.023652	0.001343	0.050028	0.059184	0.108853	0.040189	0.027243	0.00481	0.001483	0.580095	0.020082	0.00114	0.042476	0.05025	0.184845	0.068247	0.046264	0.004084	0.002518	0.319569	0.319569	0.319569	0.319569	probe2	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.017042	0.003416	0.000102	0.004661	0.00845	0.002935	0.000013	0.002722	0.000284	4.867091e-08	0.000096	0.01311	0.002617	0.000078	0.00357	0.006475	0.004487	0.000014	0.004178	0.000217	2.657463e-07	0.000171	0.00357	0.01341	0.01341	0.01341	0.01341	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.020221	0.004035	0.00012	0.005503	0.009981	0.003457	0.00001	0.003221	0.000335	2.255172e-07	0.01729	0.003421	0.000102	0.004664	0.008464	0.005832	0.000003	0.005479	0.000284	9.099756e-07	0.01341	0.01341	0.01341	0.01341
2	probe3	6	1199.690816	10.896892	7.044792	0.015728	2	probe3	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.578023	0.020011	0.001136	0.042327	0.050073	0.092094	0.034002	0.023049	0.004069	0.001254	0.153962	0.443147	0.015341	0.000871	0.03245	0.038388	0.141209	0.052135	0.035341	0.00312	0.001923	0.236073	0.03245	0.319569	0.319569	0.319569	0.319569	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.683214	0.023652	0.001343	0.050028	0.059184	0.108853	0.040189	0.027243	0.00481	0.001483	0.580095	0.020082	0.00114	0.042476	0.05025	0.184845	0.068247	0.046264	0.004084	0.002518	0.319569	0.319569	0.319569	0.319569	probe3	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.017042	0.003416	0.000102	0.004661	0.00845	0.002935	0.000013	0.002722	0.000284	4.867091e-08	0.000096	0.01311	0.002617	0.000078	0.00357	0.006475	0.004487	0.000014	0.004178	0.000217	2.657463e-07	0.000171	0.00357	0.01341	0.01341	0.01341	0.01341	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.020221	0.004035	0.00012	0.005503	0.009981	0.003457	0.00001	0.003221	0.000335	2.255172e-07	0.01729	0.003421	0.000102	0.004664	0.008464	0.005832	0.000003	0.005479	0.000284	9.099756e-07	0.01341	0.01341	0.01341	0.01341
3	probe4	6	1206.838580	11.065710	4.992487	0.015728	3	probe4	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.578023	0.020011	0.001136	0.042327	0.050073	0.092094	0.034002	0.023049	0.004069	0.001254	0.153962	0.443147	0.015341	0.000871	0.03245	0.038388	0.141209	0.052135	0.035341	0.00312	0.001923	0.236073	0.03245	0.319569	0.319569	0.319569	0.319569	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.683214	0.023652	0.001343	0.050028	0.059184	0.108853	0.040189	0.027243	0.00481	0.001483	0.580095	0.020082	0.00114	0.042476	0.05025	0.184845	0.068247	0.046264	0.004084	0.002518	0.319569	0.319569	0.319569	0.319569	probe4	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.017042	0.003416	0.000102	0.004661	0.00845	0.002935	0.000013	0.002722	0.000284	4.867091e-08	0.000096	0.01311	0.002617	0.000078	0.00357	0.006475	0.004487	0.000014	0.004178	0.000217	2.657463e-07	0.000171	0.00357	0.01341	0.01341	0.01341	0.01341	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.020221	0.004035	0.00012	0.005503	0.009981	0.003457	0.00001	0.003221	0.000335	2.255172e-07	0.01729	0.003421	0.000102	0.004664	0.008464	0.005832	0.000003	0.005479	0.000284	9.099756e-07	0.01341	0.01341	0.01341	0.01341
4	probe5	6	1205.412944	11.031935	4.546120	0.015728	4	probe5	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.578023	0.020011	0.001136	0.042327	0.050073	0.092094	0.034002	0.023049	0.004069	0.001254	0.153962	0.443147	0.015341	0.000871	0.03245	0.038388	0.141209	0.052135	0.035341	0.00312	0.001923	0.236073	0.03245	0.319569	0.319569	0.319569	0.319569	62.605707	62.605707	0.586002	0.586002	16.927273	16.927273	5.482105	5.482105	0.145298	0.145298	1.45404	1.45404	5.062259	5.062259	3.798913	3.798913	3.913493	3.913493	0.320937	0.320937	5.0	5.0	2.5	2.5	0.683214	0.023652	0.001343	0.050028	0.059184	0.108853	0.040189	0.027243	0.00481	0.001483	0.580095	0.020082	0.00114	0.042476	0.05025	0.184845	0.068247	0.046264	0.004084	0.002518	0.319569	0.319569	0.319569	0.319569	probe5	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.017042	0.003416	0.000102	0.004661	0.00845	0.002935	0.000013	0.002722	0.000284	4.867091e-08	0.000096	0.01311	0.002617	0.000078	0.00357	0.006475	0.004487	0.000014	0.004178	0.000217	2.657463e-07	0.000171	0.00357	0.01341	0.01341	0.01341	0.01341	1.806955	1.806955	0.041248	0.041248	0.550093	0.550093	0.607125	0.607125	0.013075	0.013075	0.249097	0.249097	0.857447	0.857447	0.003787	0.003787	0.459835	0.459835	0.000188	0.000188	1.870829	1.870829	0.020221	0.004035	0.00012	0.005503	0.009981	0.003457	0.00001	0.003221	0.000335	2.255172e-07	0.01729	0.003421	0.000102	0.004664	0.008464	0.005832	0.000003	0.005479	0.000284	9.099756e-07	0.01341	0.01341	0.01341	0.01341

This returns all Amp-Liq matches

[13]:

dict_out['All_PTs'].head()

[13]:

	P_kbar_calc	T_K_calc	Delta_Kd	SiO2_Liq	TiO2_Liq	Al2O3_Liq	FeOt_Liq	MnO_Liq	MgO_Liq	CaO_Liq	Na2O_Liq	K2O_Liq	P2O5_Liq	H2O_Liq	Sample_ID_Liq	ID_Liq	SiO2_Liq_mol_frac_hyd	MgO_Liq_mol_frac_hyd	MnO_Liq_mol_frac_hyd	FeOt_Liq_mol_frac_hyd	CaO_Liq_mol_frac_hyd	Al2O3_Liq_mol_frac_hyd	Na2O_Liq_mol_frac_hyd	K2O_Liq_mol_frac_hyd	TiO2_Liq_mol_frac_hyd	P2O5_Liq_mol_frac_hyd	H2O_Liq_mol_frac_hyd	Si_Liq_cat_frac_hyd	Mg_Liq_cat_frac_hyd	Mn_Liq_cat_frac_hyd	Fet_Liq_cat_frac_hyd	Ca_Liq_cat_frac_hyd	Al_Liq_cat_frac_hyd	Na_Liq_cat_frac_hyd	K_Liq_cat_frac_hyd	Ti_Liq_cat_frac_hyd	P_Liq_cat_frac_hyd	H2O_Liq_cat_frac_hyd	Fe2_Liq_cat_frac_hyd	Mg_Number_Liq_NoFe3	Mg_Number_Liq_Fe3	SiO2_Liq	TiO2_Liq	Al2O3_Liq	FeOt_Liq	MnO_Liq	MgO_Liq	CaO_Liq	Na2O_Liq	K2O_Liq	P2O5_Liq	H2O_Liq	Sample_ID_Liq	ID_Liq	SiO2_Liq_mol_frac	MgO_Liq_mol_frac	MnO_Liq_mol_frac	FeOt_Liq_mol_frac	CaO_Liq_mol_frac	Al2O3_Liq_mol_frac	Na2O_Liq_mol_frac	K2O_Liq_mol_frac	TiO2_Liq_mol_frac	P2O5_Liq_mol_frac	Si_Liq_cat_frac	Mg_Liq_cat_frac	Mn_Liq_cat_frac	Fet_Liq_cat_frac	Ca_Liq_cat_frac	Al_Liq_cat_frac	Na_Liq_cat_frac	K_Liq_cat_frac	Ti_Liq_cat_frac	P_Liq_cat_frac	Mg_Number_Liq_NoFe3	Mg_Number_Liq_Fe3	Si_Amp_cat_23ox	Mg_Amp_cat_23ox	Fet_Amp_cat_23ox	Ca_Amp_cat_23ox	Al_Amp_cat_23ox	Na_Amp_cat_23ox	K_Amp_cat_23ox	Mn_Amp_cat_23ox	Ti_Amp_cat_23ox	cation_sum_Si_Mg	cation_sum_Si_Ca	cation_sum_All	Mgno_Amp	SiO2_Amp_mol_prop	MgO_Amp_mol_prop	FeOt_Amp_mol_prop	CaO_Amp_mol_prop	Al2O3_Amp_mol_prop	Na2O_Amp_mol_prop	K2O_Amp_mol_prop	MnO_Amp_mol_prop	TiO2_Amp_mol_prop	SiO2_Amp	TiO2_Amp	Al2O3_Amp	FeOt_Amp	MnO_Amp	MgO_Amp	CaO_Amp	Na2O_Amp	K2O_Amp	Sample_ID_Amp	Kd
0	6.168027	1202.507284	0.010406	62.317403	0.592583	17.015042	5.578974	0.147384	1.493784	5.199067	3.799517	3.840125	0.320967	5	probe_s2_1	0	0.575295	0.020558	0.001152	0.043073	0.051426	0.092564	0.034004	0.022613	0.004115	0.001254	0.153947	0.441048	0.015761	0.000884	0.033022	0.039425	0.141927	0.052138	0.034672	0.003155	0.001923	0.236046	0.033022	0.323079	0.323079	62.317403	0.592583	17.015042	5.578974	0.147384	1.493784	5.199067	3.799517	3.840125	0.320967	5	probe_s2_1	0	0.679976	0.024299	0.001362	0.050909	0.060783	0.109407	0.040191	0.026727	0.004864	0.001483	0.577323	0.020630	0.001156	0.043224	0.051607	0.185780	0.068247	0.045385	0.004129	0.002517	0.323079	0.323079	6.088253	2.912777	1.645305	1.869995	2.267423	0.640114	0.17613	0.033048	0.276556	13.223362	15.093357	15.909602	0.639036	0.675218	0.323042	0.182473	0.207392	0.125734	0.035496	0.009767	0.003665	0.030671	40.57	2.45	12.82	13.11	0.26	13.02	11.63	2.2	0.92	probe1	0.269594
1	6.158444	1195.842758	0.020521	63.410655	0.567627	16.682223	5.211648	0.139473	1.343074	4.680291	3.797226	4.118336	0.320854	5	probe_s2_2	1	0.585608	0.018491	0.001091	0.040252	0.046312	0.090787	0.033996	0.024260	0.003943	0.001254	0.154005	0.448982	0.014177	0.000836	0.030861	0.035507	0.139212	0.052129	0.037200	0.003023	0.001923	0.236149	0.030861	0.314773	0.314773	63.410655	0.567627	16.682223	5.211648	0.139473	1.343074	4.680291	3.797226	4.118336	0.320854	5	probe_s2_2	1	0.692213	0.021857	0.001290	0.047578	0.054742	0.107315	0.040185	0.028677	0.004661	0.001483	0.587788	0.018560	0.001095	0.040401	0.046484	0.182251	0.068245	0.048701	0.003958	0.002518	0.314773	0.314773	6.088253	2.912777	1.645305	1.869995	2.267423	0.640114	0.17613	0.033048	0.276556	13.223362	15.093357	15.909602	0.639036	0.675218	0.323042	0.182473	0.207392	0.125734	0.035496	0.009767	0.003665	0.030671	40.57	2.45	12.82	13.11	0.26	13.02	11.63	2.2	0.92	probe1	0.259479
2	6.144301	1185.918765	0.037794	64.978351	0.531840	16.204967	4.684912	0.128130	1.126960	3.936379	3.793940	4.517285	0.320691	5	probe_s2_3	2	0.600411	0.015524	0.001003	0.036204	0.038972	0.088238	0.033985	0.026625	0.003696	0.001254	0.154088	0.460371	0.011903	0.000769	0.027759	0.029882	0.135314	0.052117	0.040830	0.002834	0.001924	0.236297	0.027759	0.300107	0.300107	64.978351	0.531840	16.204967	4.684912	0.128130	1.126960	3.936379	3.793940	4.517285	0.320691	5	probe_s2_3	2	0.709781	0.018352	0.001185	0.042797	0.046071	0.104311	0.040176	0.031475	0.004370	0.001483	0.602815	0.015586	0.001007	0.036347	0.039128	0.177182	0.068242	0.053463	0.003711	0.002519	0.300107	0.300107	6.088253	2.912777	1.645305	1.869995	2.267423	0.640114	0.17613	0.033048	0.276556	13.223362	15.093357	15.909602	0.639036	0.675218	0.323042	0.182473	0.207392	0.125734	0.035496	0.009767	0.003665	0.030671	40.57	2.45	12.82	13.11	0.26	13.02	11.63	2.2	0.92	probe1	0.242206
3	6.179671	1210.539481	-0.000487	60.953715	0.623712	17.430191	6.037164	0.157251	1.681775	5.846172	3.802375	3.493093	0.321109	5	probe_s2_4	3	0.562441	0.023134	0.001229	0.046589	0.057799	0.094778	0.034013	0.020560	0.004329	0.001254	0.153874	0.431161	0.017734	0.000942	0.035714	0.044308	0.145311	0.052148	0.031522	0.003319	0.001923	0.235917	0.035714	0.331801	0.331801	60.953715	0.623712	17.430191	6.037164	0.157251	1.681775	5.846172	3.802375	3.493093	0.321109	5	probe_s2_4	3	0.664726	0.027341	0.001453	0.055059	0.068310	0.112014	0.040199	0.024299	0.005116	0.001482	0.564287	0.023210	0.001233	0.046740	0.057989	0.190177	0.068250	0.041254	0.004343	0.002517	0.331801	0.331801	6.088253	2.912777	1.645305	1.869995	2.267423	0.640114	0.17613	0.033048	0.276556	13.223362	15.093357	15.909602	0.639036	0.675218	0.323042	0.182473	0.207392	0.125734	0.035496	0.009767	0.003665	0.030671	40.57	2.45	12.82	13.11	0.26	13.02	11.63	2.2	0.92	probe1	0.280487
4	6.186062	1214.918408	-0.005905	60.188394	0.641183	17.663178	6.294307	0.162789	1.787278	6.209337	3.803979	3.298333	0.321189	5	probe_s2_5	4	0.555232	0.024579	0.001272	0.048560	0.061373	0.096019	0.034019	0.019408	0.004449	0.001254	0.153834	0.425617	0.018841	0.000975	0.037224	0.047046	0.147208	0.052154	0.029755	0.003410	0.001923	0.235845	0.037224	0.336057	0.336057	60.188394	0.641183	17.663178	6.294307	0.162789	1.787278	6.209337	3.803979	3.298333	0.321189	5	probe_s2_5	4	0.656175	0.029047	0.001503	0.057387	0.072531	0.113476	0.040203	0.022937	0.005258	0.001482	0.556979	0.024656	0.001276	0.048711	0.061566	0.192642	0.068251	0.038938	0.004463	0.002516	0.336057	0.336057	6.088253	2.912777	1.645305	1.869995	2.267423	0.640114	0.17613	0.033048	0.276556	13.223362	15.093357	15.909602	0.639036	0.675218	0.323042	0.182473	0.207392	0.125734	0.035496	0.009767	0.003665	0.030671	40.57	2.45	12.82	13.11	0.26	13.02	11.63	2.2	0.92	probe1	0.285905

Or, if you want to filter yourself, say return all pairs

[14]:

dict_out_all=pt.calculate_amp_liq_press_temp_matching(liq_comps=Liqs, amp_comps=Amps, equationT="T_Put2016_eq4b",
equationP="P_Put2016_eq7a", return_all_pairs=True)

Note - Putirka 2016 spreadsheet calculates H2O using a H2O-solubility law of uncertian origin based on the pressure calculated for 7a, and iterates H2O and P. We dont do this, as we dont believe a pure h2o model is necessarily valid as you may be mixed fluid saturated or undersaturated. We recomend instead you choose a reasonable H2O content based on your system.
Considering N=22 Amp & N=6 Liqs, which is a total of N=132 Amp-Liq pairs, be patient if this is >>1 million!
Youve selected a P-independent function
Youve selected a T-independent function
Done!!! I found a total of N=132 Amp-Liq matches using the specified filter. N=22 Amp out of the N=22 Amp that you input matched to 1 or more liquids

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