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1b. Calculate Pvsat for analyses from a csv file using default options

This time, instead of creating a dataframe in a cell for the analysis, we’ll read it in from a spreadsheet.

Python set-up

You need to install VolFe once on your machine, if you haven’t yet. Then we need to import a few Python packages (including VolFe).

[1]:

# Install VolFe on your machine. Don't remove the # from this line!
# pip install VolFe # Remove the first # in this line if you have not installed VolFe on your machine before.

# import python packages
import pandas as pd
import matplotlib.pyplot as plt
import VolFe as vf

Import data

We’ll use the examples_marianas_wT csv in files and use all the default options again.

The data in this file are from Brounce et al. (2014) and Kelley & Cottrell (2012) with updated values for Fe3+/FeT from Cottrell et al. (2021) where available.

[2]:

# Read csv to define melt composition
my_analyses = pd.read_csv("../files/example_marianas_wT.csv")

Run the calculation

Calculate only for the first row

There are a few analyses in the csv. First, we will tell the function to stop after the first analysis by saying last_row=1:

[3]:

# runs the calculation
vf.calc_Pvsat(my_analyses,last_row=1)

[3]:
sample T_C P_bar SiO2_wtpc TiO2_wtpc Al2O3_wtpc FeOT_wtpc MnO_wtpc MgO_wtpc CaO_wtpc ... KHOSg opt KOSg opt KOSg2 opt KCOg opt KCOHg opt KOCSg opt KCOs opt carbonylsulfide opt density opt Date
0 TN273-01D-01-01 1200 327.89713 57.03956 1.661735 15.536223 9.479899 0.240251 2.963094 6.496784 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:16:47.730099

1 rows × 173 columns

Calculate for all rows

To run all the analyses, simply don’t tell it the last row you want to run.

All analyses must be in consequitive rows for this to work!

[4]:

# runs the calculation
results = vf.calc_Pvsat(my_analyses)

And we can plot these against the volatile content. This shows that the pressure is mostly controlled by CO2 and H2O content, which are correlated.

[5]:

fig, (ax1, ax2, ax3) = plt.subplots(1, 3, figsize=(12,4))

# Plotting data

data1 = results

ax1.plot(data1['CO2T-eq_ppmw'],
         data1['P_bar'], 'ok', mfc='blue')
ax2.plot(data1['H2OT-eq_wtpc'],
         data1['P_bar'], 'ok', mfc='blue')
ax3.plot(data1['ST_ppmw'],
         data1['P_bar'], 'ok', mfc='blue')

ax1.set_xlabel('CO2,T-eq (ppmw)')
ax2.set_xlabel('H2O,T-eq (wt%)')
ax3.set_xlabel('ST-eq (ppmw)')
ax1.set_ylabel('P (bar)')
ax1.set_ylim([4500, 0])
ax2.set_ylim([4500, 0])
ax3.set_ylim([4500, 0])

[5]:

(4500.0, 0.0)
../_images/Examples_1b._pvsat_csv_10_1.png

Calculate for particular rows

If we only want to run row 4 (Agr07-4) through 18 (AGR19-02-16) in that spreadsheet, we simply specify the first and last rows we want to run (remembering that row 2 in a spreadsheet - i.e., the first analysis under the headings - is actually row 0 in the dataframe).

Here it will show the dataframe because we didn’t create a new object for the results to go into.

[6]:

vf.calc_Pvsat(my_analyses,first_row=2, last_row=17)

[6]:
sample T_C P_bar SiO2_wtpc TiO2_wtpc Al2O3_wtpc FeOT_wtpc MnO_wtpc MgO_wtpc CaO_wtpc ... KHOSg opt KOSg opt KOSg2 opt KCOg opt KCOHg opt KOCSg opt KCOs opt carbonylsulfide opt density opt Date
0 Agr07-4 1200 3021.75825 45.451495 0.650021 17.270568 10.190335 0.230008 5.540182 12.320405 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:29.203778
0 Agr07-9 1200 2243.897993 48.25551 0.760875 17.309912 9.150526 0.180207 4.825551 12.093912 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:30.113102
0 Agr07-15A 1200 2011.082314 47.769532 0.810841 16.747365 10.681075 0.220228 5.665875 11.34176 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:31.371052
0 Agr07-15B 1200 1512.829185 48.020961 0.860914 16.847879 10.43107 0.190202 5.555896 11.342036 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:32.264473
0 Agr04-13 1200 1795.635387 51.009753 0.801095 16.742895 8.842091 0.200274 4.866655 10.173912 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:33.057059
0 Agr04-14 1200 837.821294 48.748373 0.780775 18.618475 9.319247 0.170169 5.355314 12.071979 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:33.740649
0 AGR19-02-4 1200 2187.349272 47.941949 0.655476 17.667136 9.729727 0.266287 4.700994 13.099285 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:34.500829
0 AGR19-02-7 1200 1051.384389 47.730139 0.852868 18.570182 9.472925 0.172604 4.406484 12.853936 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:35.213903
0 AGR19-02-10 1200 2658.556396 47.019198 0.74585 18.196695 9.185193 0.153257 4.689659 12.914443 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:36.148222
0 AGR19-02-11 1200 1922.602884 47.917169 0.777976 18.077701 9.315237 0.214967 4.729274 12.713763 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:36.944427
0 AGR19-02-12B 1200 1739.191323 47.435232 0.745805 18.236461 10.400402 0.23498 4.137684 12.883013 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:37.562294
0 AGR19-02-13 1200 1287.550005 48.921079 0.816883 17.185175 10.517368 0.234854 4.349902 11.507839 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:38.325082
0 AGR19-02-14 1200 2082.780574 47.47502 0.694408 17.901422 10.038276 0.183814 5.351024 11.907049 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:39.187433
0 AGR19-02-15 1200 3106.640066 46.734976 0.618939 17.888355 9.588483 0.213077 4.535505 13.697833 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:40.374486
0 AGR19-02-16 1200 2643.620359 46.272265 0.66434 17.32316 10.740158 0.221447 5.395243 12.149363 ... Ohmoto97 Ohmoto97 ONeill22 Ohmoto97 Ohmoto97 Moussallam19 Holloway92 COS DensityX 2025-02-18 13:17:41.435848

15 rows × 173 columns