Melt basics

import MagmaPandas as mp

Import some melt data from a csv file

melt_file = "./data/melts.csv"

melt = mp.read_melt(melt_file, index_col=["name"])
melt.head()

	SiO2	Al2O3	MgO	CaO	FeO	Na2O	K2O	MnO	TiO2	P2O5	CO2	H2O	F	S	Cl	total
name
PI032-04-01	49.402603	14.539062	6.509044	10.058735	9.757536	3.737374	0.697769	0.132497	2.548581	0.289823	0.628502	1.440208	0.078857	0.145452	0.033958	100
PI032-04-02	48.832207	15.116896	6.508618	9.688642	9.927146	3.564377	0.940308	0.135905	2.652552	0.336327	0.672345	1.330865	0.083879	0.165394	0.044540	100
PI041-02-02	49.124916	16.950138	4.861451	9.183852	10.238358	3.788617	1.077791	0.153258	2.804343	0.561031	0.463920	0.655494	0.047654	0.068020	0.021157	100
PI041-03-01	45.941086	15.753453	6.909844	10.996510	10.778833	3.346468	1.144852	0.112117	3.153303	0.551992	0.797715	0.293341	0.079499	0.086863	0.054123	99
PI041-03-03	45.313339	15.909531	6.831676	11.175276	10.966834	3.417548	1.167550	0.088899	3.262463	0.517891	0.821116	0.311131	0.081713	0.079495	0.055540	100

On top of the regular MagmaFrame methods, Melt has additional methods for calculating

NBO/T,
density,
viscosity
liquidus temperatures,
Fe3+/Fe2+ ratios,
melt FeO and Fe2O3,
olivine-melt Fe-Mg partitioning coefficients and
H2O-CO2 saturation pressures.

Let’s check the current configuration of MagmaPandas …

print(mp.configuration)

################## MagmaPandas ###################
##################################################
General settings__________________________________
fO2 buffer.....................................QFM
ΔfO2.............................................0
Melt Fe3+/Fe2+.........................borisov2018
Kd Fe-Mg ol-melt........................toplis2005
Melt thermometer....................putirka2008_16
Volatile solubility model.......iaconomarziano2012
Volatile species.............................mixed
##################################################

… and calculate liquidus temperatures with a melt-only thermometer at 4 kbar. The configuration is currently set to use equation 15 from Putirka (2008).

P_bar = 4e3

temperatures = melt.temperature(P_bar=P_bar)
temperatures

name
PI032-04-01    1441.689112
PI032-04-02    1438.624308
PI041-02-02    1395.139632
PI041-03-01    1442.484997
PI041-03-03    1441.510214
PI041-05-04    1370.343045
PI041-05-06    1399.939176
PI041-07-01    1440.598613
PI041-07-02    1439.236321
PI052-01-02    1368.655861
Name: T_K, dtype: float64

We can switch to a different thermometer by changing the configuration:

mp.configuration.melt_thermometer = "putirka2008_16"

temperatures_new = melt.temperature(P_bar=P_bar)
temperatures_new

name
PI032-04-01    1441.689112
PI032-04-02    1438.624308
PI041-02-02    1395.139632
PI041-03-01    1442.484997
PI041-03-03    1441.510214
PI041-05-04    1370.343045
PI041-05-06    1399.939176
PI041-07-01    1440.598613
PI041-07-02    1439.236321
PI052-01-02    1368.655861
Name: T_K, dtype: float64

With these temperatures we can calculate melt Fe3+/Fe2+ ratios. The configuration is currently set to fO2 buffered at QFM+1 and the Borisov et al. (2018) Fe3+/Fe2+ model.

melt.head()

	SiO2	Al2O3	MgO	CaO	FeO	Na2O	K2O	MnO	TiO2	P2O5	CO2	H2O	F	S	Cl	total
name
PI032-04-01	49.402603	14.539062	6.509044	10.058735	9.757536	3.737374	0.697769	0.132497	2.548581	0.289823	0.628502	1.440208	0.078857	0.145452	0.033958	100
PI032-04-02	48.832207	15.116896	6.508618	9.688642	9.927146	3.564377	0.940308	0.135905	2.652552	0.336327	0.672345	1.330865	0.083879	0.165394	0.044540	100
PI041-02-02	49.124916	16.950138	4.861451	9.183852	10.238358	3.788617	1.077791	0.153258	2.804343	0.561031	0.463920	0.655494	0.047654	0.068020	0.021157	100
PI041-03-01	45.941086	15.753453	6.909844	10.996510	10.778833	3.346468	1.144852	0.112117	3.153303	0.551992	0.797715	0.293341	0.079499	0.086863	0.054123	99
PI041-03-03	45.313339	15.909531	6.831676	11.175276	10.966834	3.417548	1.167550	0.088899	3.262463	0.517891	0.821116	0.311131	0.081713	0.079495	0.055540	100

print(mp.configuration)

################## MagmaPandas ###################
##################################################
General settings__________________________________
fO2 buffer.....................................QFM
ΔfO2.............................................0
Melt Fe3+/Fe2+.........................borisov2018
Kd Fe-Mg ol-melt........................toplis2005
Melt thermometer....................putirka2008_16
Volatile solubility model.......iaconomarziano2012
Volatile species.............................mixed
##################################################

moles = melt.moles()

moles.FeO_Fe2O3_calc(0.33, wtpc=False)

	SiO2	Al2O3	MgO	CaO	FeO	Na2O	K2O	MnO	TiO2	P2O5	CO2	H2O	F	S	Cl	total	Fe2O3
name
PI032-04-01	0.498648	0.086478	0.097943	0.108783	0.061930	0.036570	0.004492	0.001133	0.019353	0.001238	0.008661	0.048484	0.002517	0.002751	0.000581	0.989782	0.010218
PI032-04-02	0.496051	0.090491	0.098564	0.105452	0.063410	0.035101	0.006093	0.001169	0.020272	0.001446	0.009325	0.045090	0.002695	0.003148	0.000767	0.989537	0.010463
PI041-02-02	0.518555	0.105437	0.076501	0.103871	0.067958	0.038769	0.007257	0.001370	0.022270	0.002507	0.006686	0.023077	0.001591	0.001345	0.000378	0.988787	0.011213
PI041-03-01	0.480702	0.097135	0.107784	0.123283	0.070919	0.033945	0.007641	0.000994	0.024822	0.002445	0.011396	0.010237	0.002631	0.001703	0.000960	0.988298	0.011702
PI041-03-03	0.474557	0.098185	0.106660	0.125399	0.072220	0.034697	0.007800	0.000789	0.025705	0.002296	0.011741	0.010868	0.002706	0.001560	0.000986	0.988084	0.011916
PI041-05-04	0.512278	0.117337	0.061949	0.107859	0.064936	0.047763	0.010978	0.001253	0.020040	0.003742	0.007460	0.016494	0.002973	0.002438	0.001071	0.989286	0.010714
PI041-05-06	0.492420	0.106249	0.075050	0.101574	0.077597	0.041217	0.009602	0.001508	0.029047	0.002786	0.009285	0.020756	0.003609	0.002551	0.001141	0.987197	0.012803
PI041-07-01	0.473225	0.094020	0.103617	0.108615	0.074906	0.031789	0.008501	0.001267	0.027836	0.002460	0.006689	0.035661	0.002488	0.003207	0.001000	0.987641	0.012359
PI041-07-02	0.479135	0.096393	0.103903	0.113359	0.075639	0.032479	0.009113	0.001195	0.027930	0.002739	0.005337	0.021588	0.002444	0.002763	0.001021	0.987519	0.012481
PI052-01-02	0.515492	0.105613	0.058860	0.117128	0.055223	0.050291	0.010295	0.002089	0.013974	0.003052	0.004143	0.039428	0.002737	0.002494	0.000958	0.990888	0.009112

mp.configuration.Fe3Fe2_model = "borisov2018"
Fe3Fe2_QFM1 = melt.Fe3Fe2(T_K=temperatures, P_bar=P_bar)
Fe3Fe2_QFM1

name
PI032-04-01    0.192937
PI032-04-02    0.190789
PI041-02-02    0.173552
PI041-03-01    0.192178
PI041-03-03    0.196175
PI041-05-04    0.181691
PI041-05-06    0.187878
PI041-07-01    0.195070
PI041-07-02    0.191716
PI052-01-02    0.195356
dtype: float64

Changing the fO2 buffer to lower log offset values reduces the amount of Fe3+

mp.configuration.dfO2 = 0

melt.Fe3Fe2(T_K=temperatures, P_bar=P_bar)

name
PI032-04-01    0.192937
PI032-04-02    0.190789
PI041-02-02    0.173552
PI041-03-01    0.192178
PI041-03-03    0.196175
PI041-05-04    0.181691
PI041-05-06    0.187878
PI041-07-01    0.195070
PI041-07-02    0.191716
PI052-01-02    0.195356
dtype: float64

With our Fe3+/Fe2+ ratios we can calculate melt FeO and Fe2O3 contents

melt.FeO_Fe2O3_calc(Fe3Fe2=Fe3Fe2_QFM1)

	SiO2	Al2O3	MgO	CaO	FeO	Na2O	K2O	MnO	TiO2	P2O5	CO2	H2O	F	S	Cl	Fe2O3	total
name
PI032-04-01	49.315947	14.513559	6.497627	10.041091	8.165077	3.730818	0.696545	0.132265	2.544111	0.289315	0.627400	1.437682	0.078719	0.145197	0.033898	1.750750	100.0
PI032-04-02	48.745878	15.090171	6.497111	9.671513	8.321875	3.558075	0.938646	0.135665	2.647862	0.335733	0.671157	1.328513	0.083731	0.165102	0.044461	1.764507	100.0
PI041-02-02	49.042236	16.921610	4.853269	9.168395	8.709566	3.782241	1.075977	0.153000	2.799624	0.560087	0.463139	0.654390	0.047573	0.067906	0.021122	1.679865	100.0
PI041-03-01	45.852377	15.723034	6.896501	10.975276	9.023837	3.340007	1.142641	0.111900	3.147214	0.550926	0.796175	0.292775	0.079345	0.086695	0.054018	1.927276	100.0
PI041-03-03	45.222774	15.877733	6.818022	11.152940	9.149930	3.410718	1.165216	0.088721	3.255942	0.516856	0.819475	0.310509	0.081549	0.079336	0.055429	1.994848	100.0
PI041-05-04	47.637183	18.516223	3.864216	9.361043	8.126579	4.581581	1.600461	0.137524	2.477081	0.822031	0.508098	0.459869	0.087420	0.120972	0.058793	1.640927	100.0
PI041-05-06	46.272040	16.942774	4.730699	8.908262	9.761997	3.995287	1.414517	0.167331	3.628101	0.618478	0.639027	0.584787	0.107242	0.127910	0.063273	2.038276	100.0
PI041-07-01	45.764297	15.429679	6.721680	9.803361	9.639725	3.171182	1.288853	0.144685	3.578237	0.562046	0.473776	1.034022	0.076072	0.165536	0.057054	2.089796	100.0
PI041-07-02	45.776560	15.628050	6.658930	10.108046	9.643705	3.200864	1.364980	0.134766	3.546947	0.618237	0.373498	0.618406	0.073834	0.140891	0.057567	2.054718	100.0
PI052-01-02	49.243641	17.120640	3.771699	10.442754	7.018285	4.955718	1.541803	0.235589	1.774323	0.688868	0.289850	1.129296	0.082686	0.127125	0.054001	1.523722	100.0

Our melts also contain H2O and CO2, so let’s calculate volatile saturation pressures. In the configuration we see that we’re currently using the Iacono-Marziano et al. (2012) model with mixed CO2-H2O fluids:

print(mp.configuration)

################## MagmaPandas ###################
##################################################
General settings__________________________________
fO2 buffer.....................................QFM
ΔfO2.............................................0
Melt Fe3+/Fe2+.........................borisov2018
Kd Fe-Mg ol-melt........................toplis2005
Melt thermometer....................putirka2008_16
Volatile solubility model.......iaconomarziano2012
Volatile species.............................mixed
##################################################

pressures_IM2012 = melt.volatile_saturation_pressure(T_K=temperatures)
pressures_IM2012

Saturation pressure...    |█████████████████████████| 100% [10/10] in 2.5s (3.17

name
PI032-04-01    5853.465872
PI032-04-02    6504.086975
PI041-02-02    4772.936412
PI041-03-01    6417.666636
PI041-03-03    6296.956179
PI041-05-04    4100.520755
PI041-05-06    5150.179572
PI041-07-01    4776.667586
PI041-07-02    3804.242787
PI052-01-02    2586.324019
dtype: float64

Lets change the volatile solubility model to Allison et al. (2022):

mp.configuration.volatile_solubility = 'allison2022'
print(mp.configuration)

################## MagmaPandas ###################
##################################################
General settings__________________________________
fO2 buffer.....................................QFM
ΔfO2.............................................0
Melt Fe3+/Fe2+.........................borisov2018
Kd Fe-Mg ol-melt........................toplis2005
Melt thermometer....................putirka2008_16
Volatile solubility model..............allison2022
Volatile species.............................mixed
##################################################

pressures_A22 = melt.volatile_saturation_pressure(T_K=temperatures)
pressures_A22

Saturation pressure...    |█████████████████████████| 100% [10/10] in 1.1s (8.67

name
PI032-04-01    4759.038948
PI032-04-02    5370.482770
PI041-02-02    4878.423290
PI041-03-01    5792.580142
PI041-03-03    5976.245167
PI041-05-04    5231.131109
PI041-05-06    5797.897481
PI041-07-01    4503.986268
PI041-07-02    3904.017937
PI052-01-02    2594.307474
dtype: float64