VESIcal: An open-source thermodynamic model engine for mixed volatile (H2O-CO2) solubility in silicate melts

VESIcal: An open-source thermodynamic model engine for mixed volatile (H2O-CO2) solubility in silicate melts

Details
Date
Fri 20th May 2022
Cost
Time
3 pm
Booking required
No

Speaker: Dr Kayla Iacovino (NASA)

Kayla uses a combination of fieldwork, laboratory experiments, and thermodynamic modeling to better understand the inner workings of crustal volcanic systems. She is particularly interested in answering questions about how volcanic volatiles (H2O, CO2, S, F, Cl) cycle within the Earth and other planets and how a combination of magma crystallization, degassing, and chemical evolution leads to volcanic eruption.

Abstract: Thermodynamic modeling has been the backbone of interpreting geologic data and modelling geologic systems for decades. However, more recent advancements in computational capabilities and a marked increase in researchers’ accessibility to computing tools has outpaced the functionality and extensibility of currently available modeling tools. VESIcal is the first comprehensive modelling tool for H2O, CO2, and mixed (H2O-CO2) solubility in silicate melts. VESIcal provides a thermodynamic framework that: a) allows users access to all commonly used models, including easy intercomparison between models; b) provides universal functionality for all models (e.g., functions for calculating saturation pressures, degassing paths, etc.); c) can process large datasets (1,000’s of samples) automatically; d) outputs computed data into an excel spreadsheet for simple post-modelling analysis; e) integrates advanced plotting capabilities directly within the tool; and f) provides all of these within the framework of a python library, making the tool extensible by the user and allowing any of the model functions to be incorporated into any other code capable of calling python.

VESIcal is the first substantive cog in a broader vision on the future of thermodynamic modeling of volatiles in magmatic systems. In this talk, I will discuss this vision, describe how VESIcal is the first large step toward meeting some ambitious goals, and demonstrate the power of VESIcal by performing some modeling in real time.

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