Simulating the behavior of volatiles belonging to the C-O-H-S system in silicate melts under magmatic conditions with the software d-compress
Résumé
Modeling magmatic degassing, or how the volatile distribution between gas and melt
changes at pressure varies, is a complex task that involves a large number of
thermodynamical relationships and that requires dedicated software. This article presents the
software D-Compress, which computes the gas and melt volatile composition of five element
sets in magmatic systems (O-H, S-O-H, C-S-O-H, C-S-O-H-Fe, and C-O-H). It has been
calibrated so as to simulate the volatiles coexisting with three common types of silicate melts
(basalt, phonolite, and rhyolite). Operational temperatures depend on melt composition and
range from 790 to 1400°C. A specificity of D-Compress is the calculation of volatile
composition as pressure varies along a (de)compression path between atmospheric and 3000
bars. This software was prepared so as to maximize versatility by proposing different sets of
input parameters. In particular, whenever new solubility laws on specific melt compositions
are available, the model parameters can be easily tuned to run the code on that composition.
Parameter gaps were minimized by including sets of chemical species for which calibration
data were available over a wide range of pressure, temperature, and melt composition. A brief
description of the model rationale is followed by the presentation of the software capabilities.
Examples of use are then presented with outputs comparisons between D-Compress and other
currently available thermodynamical models. The compiled software and the source code are
available as electronic supplementary materials.
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