School of Earth Sciences - Research Publications
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ItemNew mineral activity-composition relations for thermodynamic calculations in metapelitic systems(WILEY-BLACKWELL, 2014-04)Abstract 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 (, 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 reparameterized using the approach outlined in the companion paper in this issue. For the first time, the entire set of a–x 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 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, although with many low variance fields shifting in P–T space to somewhat lower pressure conditions.
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ItemThe effect of Mn on mineral stability in metapelites revisited: new a-x relations for manganese-bearing minerals(WILEY, 2014-10)Abstract The a–x relations recently presented in White et al. (, Journal of Metamorphic Geology, 32, 261–286) are extended to include MnO. This provides a set of internally consistent a–x relations for metapelitic rocks in the MnO–Na2O–CaO–K2O–FeO–MgO–Al2O3–SiO2–H2O–TiO2–O2 (MnNCKFMASHTO) system. The mixing parameters for the Mn‐bearing minerals were estimated using the micro‐ϕ approach of Powell et al. (, Journal of Metamorphic Geology, 32, 245–260). Then the Mn‐end‐member thermodynamic properties were calibrated using a database of co‐existing minerals involving literature data from rocks and from experiments on natural materials. Mn‐end‐members were calibrated for orthopyroxene, cordierite, staurolite, chloritoid, chlorite, biotite, ilmenite and hematite, assuming known properties for the garnet end‐member spessartine. The addition of MnO to phase diagram calculations results in a marked expansion of the stability of garnet‐bearing assemblages. At greenschist facies conditions garnet stability is extended down temperature. At amphibolite facies conditions, the garnet‐in boundary shifts to lower pressure. While the addition of MnO greatly influences the stability of garnet, it has relatively little effect on the stability of other common metapelitic minerals, with the resultant diagrams being topologically very similar to those calculated without MnO. Furthermore, the addition of MnO in the amounts measured in most metapelites has only a small effect on the mode of garnet, with calculated garnet modes remaining smaller than 1% in the P–T range outside its predicted Mn‐free P–T range.