New mineral activity-composition relations for thermodynamic calculations in metapelitic systems
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New activity-composition (a-x) relations for minerals commonly occurring in metapelites are presented for use with the internally-consistent thermodynamic dataset of Holland & Powell (2011, Journal of Metamorphic Geology, 29, 333-383). The a-x relations include a broader consideration of Fe2O3 in minerals, changes to the formalism of several phases and order-disorder in all ferromagnesian minerals where Fe-Mg mixing occurs on multiple sites. The a-x relations for chlorite, biotite, garnet, chloritoid, staurolite, cordierite, orthopyroxene, muscovite, paragonite and margarite have been substantially reparameterised using the approach outlined in the companion paper (Powell et al., this issue). For the first time, the entire set of a-x relations for the common ferromagnesian minerals in metapelitic rocks is parameterised simultaneously, with attention paid to ensuring that they can be used together to calculate phase diagrams of geologically-appropriate topology.The a-x relations developed are for use in the Na2O-CaO-K2O-FeO-MgO-Al2O3-SiO2-H2O-TiO2-O2 (NCKFMASHTO) system for both subsolidus and suprasolidus conditions. Petrogenetic grids in KFMASH and KFMASHTO are similar in topology to those produced with earlier end-member datasets and a-x relations, but with some notable differences. In particular, in subsolidus equilibria, the FeO/(FeO + MgO) of garnet is now greater than in coexisting staurolite, bringing a number of key staurolite-bearing equilibria into better agreement with inferences from field and petrographic observations. Furthermore, the addition of Fe3+ and Ti to a number of silicate phases allows more plausible equilibria to be calculated in relevant systems. Pseudosections calculated with the new a-x relations are also topologically similar to equivalent diagrams using earlier a-x relations, though with many low variance field shifting in P-T space to somewhat lower P conditions.
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