Tools for Petrologists
I'm glad these tools continue to be a useful resource for so many. If you have a question about any of these tools, feel free to reach out via email at kiacovino [at] seti [dot] org
Spreadsheets, Calculators, and Python Code
Stuff that I created or co-created.
VESIcal Volatile Solubility Python Library
A generalized python library for calculating and plotting various things related to mixed volatile (H2O-CO2) solubility in silicate melts. Full documentation can be found on ReadTheDocs.
Publication
Iacovino K, Matthews S, Wieser PE, Moore GM, Bégué F (2021) "VESIcal Part I: An open-source thermodynamic model engine for mixed volatile (H2O-CO2) solubility in silicate melts", Earth and Space Science, doi:10.1029/2020EA001584.
Also see
DensityX: Glass Density Calc
Input the composition of a silicate glass/melt in terms of wt% and the H2O content plus temperature and pressure. Outputs density in g/cm3 and g/L.
Publication
Iacovino, K. and Till, C. B. (2019) "DensityX: A program for calculating the densities of magmatic liquids up to 1,627 C and 30 kbar", Volcanica, 2(1), pp. 1-10. doi:10.30909/vol.02.01.0110
TAS Diagram Plotter
Allows for fast plotting onto a TAS (total alkali silica) diagram for use in naming your volcanic rock by composition. Created using coordinates as given in Le Maitre et al (2002).
Citation
Iacovino, Kayla, & Gouard, Cedric. (2021). TAS Diagram Plotter (3.0). Zenodo. https://doi.org/10.5281/zenodo.5907859
Plutonic TAS Diagram Plotter
Based on the Volcanic TAS Diagram Plotter (v2.0) with updated parameters and labels for plutonic rocks. Created by Paul Asimow using coordinates from E. A. K. Middlemost (1994).
Citation
Calculate Oxygen Fugacity Buffer
Tool to calculate oxygen fugacity in terms of common buffers. Useful for converting fO2 values into and between delta buffer values.
Citation
Iacovino, Kayla. (2026). Calculate fO2 Buffer (v1.7). Zenodo. doi:10.5281/zenodo.20635549
Oxygen Fugacity Buffer Plotter
Python script that plots fO2 buffer values at any given pressure and temperature range.
Citation
Iacovino, K. (2021). Oxygen Fugacity (Redox) Buffer Plotter. Zenodo. https://doi.org/10.5281/zenodo.5907875
Ferric/Ferrous, Fe3+/FeT, fO2 Converter (Kress and Carmichael, 1991)
Tool for calculating the ferric/ferrous iron ratio in a melt for any given fO2 and vice versa.
Citation
Iacovino, K. (2021). Ferric/Ferrous, Fe3+/FeT, fO2 Converter (Kress and Carmichael, 1991) (3.2). Zenodo. doi: 10.5281/zenodo.5907844
Wtper-to-Molper Conversion Tool
Converts melt composition from wt% to mol%. Includes VisualBasic macros.
Oxide to Element Conversion Tool
Converts compositions measured in oxides to elements and vice versa.
Water From Iron Reduction
Calculates how much water was added to your melt due to reduction of iron during your run.
External Spreadsheets and Calculators
Simple and extremely useful tools that I found online.
Oxygen fugacity buffer calculator
Extensive and powerful yet simple interactive app for calculating and plotting oxygen fugacity buffer curves and more, created and maintained by Michael Anenburg.
Python Libraries for Earth Scientists
A curated list of python packages for use in the Earth Sciences by Maurizio Petrelli.
Gabbrosoft Mineralogical Spreadsheets
Spreadsheets for calculating mineral formulas based on electron microprobe analysis. Also includes Bulk KD calculator and Magma Density calculator.
Mineral Formula Calculations
Various excel spreadsheets from Carlton College for calculating formulas of various mineral types.
rockPTX
An excellent resource for optical petrology and mineralogy. Contains high resolution scans of thin sections with explanations.
Chemical Equation Balancer
Balances chemical equations and allows calculation of moles or mass of products given reactants.
Models Available Online
Some of my favorite models, none of which were made by me but all of which are used by me!
SolEx
Calculates basaltic melt and coexisting vapor compositions in C-O-H-S-Cl system. Computers and Geosciences vol. 45, pp. 87-97.
MELTS, rhyoliteMELTS, and pMELTS
Software for thermodynamic modeling of phase equilibria in magmatic systems. Works 500-2000 C and 0-2 GPa.
MELTS for Excel
Microsoft Excel-based MELTS interface. doi:10.1002/2014GC005545
Model for Viscosity of Volatile-bearing Melts
From Giordano D, Russell JK & Dingwell DB (2008).
QUILF
Program to assess equilibria among Fe-Mg-Mn-Ti oxides, pyroxenes, olivine, and quartz. Windows only. See QUILF Basics. Original publication: doi:10.1016/0098-3004(93)90033-2
Thermodynamic Tools, References & Calculators
I always find it difficult to find the thermodynamic data that I need when I need it. So, here is a running list of references and online tools.
Patrick Barrie's program for solving cubic equations of state
Online applet for calculating Z, V, phi, H & S using various equations of state including Redlich-Kwong.
Critical constants and acentric factors for some inorganic compounds
From Perry's Chemical Engineers' Handbook.
Heats, free energies, and equilibrium constants of some reactions involving O2, H2, H2O, C, CO, CO2, and CH4
Wagman et al. (1945). See Table 8 for equilibrium constant values.