Welcome to PySulfSat’s documentation!
- Simple fractional crystallization model
- If you havent done so already, you need to pip install PySulfSat
- Example 1 - SCSS calculations
- Example 1d: Using the Fortin et al. (2015) model at a fixed water content
- Calculate expected FC trajectory
- Simple figure for paper
- Example 2: SCAS models
- Example 3 - Calculating amount of sulfide which has formed
- Example 4 - S6 Corrections
- Using Jugo
- Using Nash
- Perform correction
- Integrating PySulfSat with PetThermoTools
- If you havent done so already, you need to pip install PySulfSat
- Now you need to append the path to your local MELTS installation
- And now you need to download the PetThermoTools code by uncommenting this line
- Import data
- Using PetThermoTools
- Lets see what phases it crystallized..
- Calculate SCSS using Li and Zhang 2022
- Smythe sulfide saturation model
- Using Oneill
- Polybaric PetThermoTools SCSS calcs
- Correcting SCSS for S6+ and SCAS for S2-
- Visualization
- Now lets apply it to some Petrolog fractionation path
- Calculate Smythe SCSS with a fixed sulfide composition
- Calculate SCAS using ZT2022
- Now combine to calculate the total S, using S6+/ST ratio from Nash
- Using Jugo et al. (2010)
- Can also use ONeill and Mavrogenes to calculate the sulfate capacity. See the workbook ‘CS6_S6ST_Correction’ for more detail on this method
- Can do using logfo2
- Lets plot up these results
- Calculating S6+/ST using CS6+ as in ONeill and Mavrogenes (2022)
- Propagating error in 2 very generic ways using Monte Carlo Methods
- Comparing calculated S6/ST to measured (Muth and Wallace, 2021)
- Load data (measured MI comps)
- Lets convert with Berry et al. (2018) following O’Neill and Mavrogenes (2022)
- Lets calculate a temperature
- Lets perform calcs straight up first
- Now lets account for error
- Now put all this synthetic simulated data into the S6 calculation
- Now calculate the error bar for each row
- Lets do the same using Nash
- Now put these uncertainties into Nash
- And Jugo
- Figure for text showing S6/St with errorbars
- We can also do Monte Carlo simulations for the SCSS (and all other calculations)
- Lets also calculate the SCAS
- Lets calculate the STot using the measured S6/ST amount