VESIcal: An open-source thermodynamic model engine for mixed volatile (H₂O-CO₂) solubility in silicate melts
Contents
Inter-model Isobar Comparision
This notebook provides code to visualize differences in isobars plotted for an alkali basalt and a rhyolite sample using each of VESIcal’s H2O-CO2 models.
import VESIcal as v
import pandas as pd
%matplotlib inlinealkbasalt = v.Sample({'SiO2': 49.0,
'TiO2': 1.27,
'Al2O3': 19.7,
'Fe2O3': 3.74,
'FeO': 5.33,
'MnO': 0.17,
'MgO': 4.82,
'CaO': 8.85,
'Na2O': 4.23,
'K2O': 1.00,
'P2O5': 0.37,
'H2O': 4.51,
'CO2': 0.25})
rhyolite = v.Sample({'SiO2':77.19,
'TiO2':0.06,
'Al2O3':12.80,
'FeO':0.94,
'MgO':0.03,
'CaO':0.53,
'Na2O':3.98,
'K2O':4.65,
'CO2':0.05,
'H2O':0.26})
sample_table = pd.DataFrame([alkbasalt.get_composition(), rhyolite.get_composition()], index=["Alkali Basalt", "Rhyolite"])
sample_table SiO2 TiO2 Al2O3 Fe2O3 FeO MnO MgO CaO Na2O K2O \
Alkali Basalt 49.00 1.27 19.7 3.74 5.33 0.17 4.82 8.85 4.23 1.00
Rhyolite 77.19 0.06 12.8 NaN 0.94 NaN 0.03 0.53 3.98 4.65
P2O5 H2O CO2
Alkali Basalt 0.37 4.51 0.25
Rhyolite NaN 0.26 0.05 #check calibration
v.calib_plot(user_data=alkbasalt.get_composition(), model='mixed', zoom='user_data')
v.calib_plot(user_data=rhyolite.get_composition(), model='mixed', zoom='user_data')
alkbasalt_isobars, alkbasalt_isopleths = v.calculate_isobars_and_isopleths(sample=alkbasalt, temperature=1200, pressure_list=[500, 1000, 2000], isopleth_list=[0.5], print_status=True).result
rhyolite_isobars, rhyolite_isopleths = v.calculate_isobars_and_isopleths(sample=rhyolite, temperature=800, pressure_list=[500, 1000, 2000], isopleth_list=[0.5]).resultIac_alkbasalt_isobars, Iac_alkbasalt_isopleths = v.calculate_isobars_and_isopleths(sample=alkbasalt, temperature=1200, pressure_list=[500, 1000, 2000], isopleth_list=[0.5], model="IaconoMarziano").result
Dixon_alkbasalt_isobars, Dixon_alkbasalt_isopleths = v.calculate_isobars_and_isopleths(sample=alkbasalt, temperature=1200, pressure_list=[500, 1000, 2000], isopleth_list=[0.5], model="Dixon").result
Shish_alkbasalt_isobars, Shish_alkbasalt_isopleths = v.calculate_isobars_and_isopleths(sample=alkbasalt, temperature=1200, pressure_list=[500, 1000, 2000], isopleth_list=[0.5], model="ShishkinaIdealMixing").result
Liu_rhyolite_isobars, Liu_rhyolite_isopleths = v.calculate_isobars_and_isopleths(sample=rhyolite, temperature=800, pressure_list=[500, 1000, 2000], isopleth_list=[0.5], model="Liu").resultfig, ax = v.plot(isobars=[alkbasalt_isobars, Iac_alkbasalt_isobars, Dixon_alkbasalt_isobars, Shish_alkbasalt_isobars], isobar_labels=["MagmaSat", "Iacono-Marziano", "Dixon", "Shishkina"])
v.show()
fig, ax = v.plot(isobars=[rhyolite_isobars, Liu_rhyolite_isobars], isobar_labels=["MagmaSat", "Liu"])
v.show()
fig, ax = v.plot(isobars=Shish_alkbasalt_isobars)
v.show()
