Chemical mass transfer in magmatic processes

Mathematics

Scientific paper

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Scientific paper

Thermodynamic and mathematical relations are presented to facilitate the description of an algorithm for the calculation of chemical mass transfer in magmatic systems. This algorithm extends the silicate liquid solution model of Ghiorso et al. (1983) to allow for the quantitative modelling of natural magmatic processes such as crystal fractionation, equilibrium crystallization, magma mixing and solid-phase assimilation. The algorithm incorporates a new method for determining the saturation surface of a non-ideal multicomponent solid-solution crystallizing from a melt. It utilizes a mathematical programming (optimization) approach to determine the stable heterogeneous (solids+liquid) equilibrium phase assemblage at a particular temperature and pressure in magmatic systems both closed and open to oxygen. Closed system equilibria are computed by direct minimization of the Gibbs free energy of the system. Open system equilibria are determined by minimization of the Korzhinskii potential (Thompson 1970), where oxygen is treated as a perfectly mobile component. Magmatic systems undergoing chemical mass transfer processes are modelled in a series of discrete steps in temperature, pressure or bulk composition, with each step characterized by heterogeneous solid-liquid equilibrium. A numerical implementation of the algorithm has been developed (in the form of a FORTRAN 77 computer program) and calculations demonstrating its utility are provided in an accompanying paper (Ghiorso and Carmichael 1985).

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