New mineral activity–composition relations for thermodynamic calculations in metapelitic systems

Journal of Metamorphic Geology - Tập 32 Số 3 - Trang 261-286 - 2014
R. W. White1, Roger Powell2, T. J. B. Holland3, Tim Johnson1, E. C. R. Green1
1Institute of Geoscience University of Mainz D‐55099 Mainz Germany
2School of Earth Sciences, University of Melbourne, Melbourne, Vic. 3010, Australia
3Department of Earth Sciences, University of Cambridge, Cambridge, CB2 3EQ, UK

Tóm tắt

Abstract

New activity–composition (ax) relations for minerals commonly occurring in metapelites are presented for use with the internally consistent thermodynamic dataset of Holland & Powell (, Journal of Metamorphic Geology, 29, 333–383). The ax 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 ax relations for chlorite, biotite, garnet, chloritoid, staurolite, cordierite, orthopyroxene, muscovite, paragonite and margarite have been substantially reparameterized using the approach outlined in the companion paper in this issue. For the first time, the entire set of ax relations for the common ferromagnesian minerals in metapelitic rocks is parameterized simultaneously, with attention paid to ensuring that they can be used together to calculate phase diagrams of geologically appropriate topology. The ax 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 ax 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 ax relations are also topologically similar to equivalent diagrams using earlier ax relations, although with many low variance fields shifting in PT space to somewhat lower pressure conditions.

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