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We present, as a progress report, a revised and much enlarged version of the thermodynamic dataset given earlier (Holland & Powell, 1985). This new set includes data for 123 mineral and fluid end-members made consistent with over 200 P–T–XCO2–fO2 phase equilibrium experiments. Several improvements and advances have been made, in addition to the increased coverage of mineral phases: the data are now presented in three groups ranked according to reliability; a large number of iron-bearing phases has been included through experimental and, in some cases, natural Fe:Mg partitioning data; H2O and CO2 contents of cordierites are accounted for with the solution model of Kurepin (1985); simple Landau theory is used to model lambda anomalies in heat capacity and the Al/Si order–disorder behaviour in some silicates, and Tschermak-substituted end-members have been derived for iron and magnesium end-members of chlorite, talc, muscovite, biotite, pyroxene and amphibole. For the subset of data which overlap those of Berman (1988), it is encouraging to find both (1) very substantial agreement between the two sets of thermodynamic data and (2) that the two sets reproduce the phase equilibrium experimental brackets to a very similar degree of accuracy. The main differences in the two datasets involve size (123 as compared to 67 end-members), the methods used in data reduction (least squares as compared to linear programming), and the provision for estimation of uncertainties with this dataset. For calculations on mineral assemblages in rocks, we aim to maximize the information available from the dataset, by combining the equilibria from all the reactions which can be written between the end-members in the minerals. For phase diagram calculations, we calculate the compositions of complex solid solutions (together with P and T) involved in invariant, univariant and divariant assemblages. Moreover we strongly believe in attempting to assess the probable uncertainties in calculated equilibria and hence provide a framework for performing simple error propagation in all calculations in thermocalc, the computer program we offer for an effective use of the dataset and the calculation methods we advocate. 相似文献
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The presence in rocks of coexisting sapphirine + quartz has been widely used to diagnose conditions of ultra‐high‐temperature (UHT) metamorphism (>900 °C), an inference based on the restriction of this assemblage to temperatures >980 °C in the conventionally considered FeO–MgO–Al2O3–SiO2 (FMAS) chemical system. With a new thermodynamic model for sapphirine that includes Fe2O3, phase equilibra modelling using thermocalc software has been undertaken in the FeO–MgO–Al2O3–SiO2–O (FMASO) and FeO–MgO–Al2O3–SiO2– TiO2–O (FMASTO) chemical systems. Using a variety of calculated phase diagrams for quartz‐saturated systems, the effects of Fe2O3 and TiO2 on FMAS phase relations are shown to be considerable. Importantly, the stability field of sapphirine + quartz assemblages extends down temperature to 850 °C in oxidized systems and thus out of the UHT range. 相似文献
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The activity–composition (a–x) relations of sapphirine are re‐evaluated in the light of a recent new internally‐consistent data set of phase end‐members for use in phase equilibria modelling, particularly of ultra‐high‐temperature (UHT) rocks. This is achieved with the aid of relatively oxidized sapphirine+quartz‐bearing granulites from Wilson Lake, Canada. Calculated P–T projections and compatibility diagrams in the K2O–FeO–MgO–Al2O3–SiO2–H2O–TiO2–Fe2O3 (KFMASHTO) system are used to illustrate sapphirine+quartz‐bearing phase equilibria in the context of UHT metamorphism. These new a–x relations for sapphirine should allow pseudosection thermobarometry in NCKFMASHTO for estimating peak P–T conditions of sapphirine‐bearing rocks. 相似文献
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The Holland and Powell internally consistent data set version 5.5 has been augmented to include pyrite, troilite, trov (Fe0.875S), anhydrite, H2S, elemental S and S2 gas. Phase changes in troilite and pyrrhotite are modelled with a combination of multiple end‐members and a Landau tricritical model. Pyrrhotite is modelled as a solid solution between hypothetical end‐member troilite (trot) and Fe0.875S (trov); observed activity–composition relationships fit well to a symmetric formalism model with a value for wtrot?trov of ?3.19 kJ mol?1. The hypothetical end‐member approach is required to compensate for iron distribution irregularities in compositions close to troilite. Mixing in fluids is described with the van Laar asymmetric formalism model with aij values for H2O–H2S, H2S–CH4 and H2S–CO2 of 6.5, 4.15 and 0.045 kJ mol?1 respectively. The derived data set is statistically acceptable and replicates the input data and data from experiments that were not included in the initial regression. The new data set is applied to the construction of pseudosections for the bulk composition of mafic greenschist facies rocks from the Golden Mile, Kalgoorlie, Western Australia. The sequence of mineral assemblages is replicated successfully, with observed assemblages predicted to be stable at X(CO2) increasing with increasing degree of hydrothermal alteration. Results are compatible with those of previous work. Assemblages are insensitive to the S bulk content at S contents of less than 1 wt%, which means that volatilization of S‐bearing fluids and sulphidation are unlikely to have had major effects on the stable mineral assemblage in less metasomatized rocks. The sequence of sulphide and oxide phases is predicted successfully and there is potential to use these phases qualitatively for geobarometry. Increases in X(CO2) stabilized, in turn, pyrite–magnetite, pyrite–hematite and anhydrite–pyrite. Magnetite–pyrrhotite is predicted at temperatures greater than 410 °C. The prediction of a variety of sulphide and oxide phases in a rock of fixed bulk composition as a function of changes in fluid composition and temperature is of particular interest because it has been proposed that such a variation in phase assemblage is produced by the infiltration of multiple fluids with contrasting redox state. The work presented here shows that this need not be the case. 相似文献
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A thermodynamic model for haplogranitic melts in the system Na2O–CaO–K2O–Al2O3–SiO2–H2O (NCKASH) is extended by the addition of FeO and MgO, with the data for the additional end‐members of the liquid incorporated in the Holland & Powell (1998) internally consistent thermodynamic dataset. The resulting dataset, with the software thermocalc , is then used to calculate melting relationships for metapelitic rock compositions. The main forms for this are P–T and T–X pseudosections calculated for particular rock compositions and composition ranges. The relationships in these full‐system pseudosections are controlled by the low‐variance equilibria in subsystems of NCKFMASH. In particular, the solidus relationships are controlled by the solidus relationships in NKASH, and the ferromagnesian mineral relationships are controlled by those in KFMASH. However, calculations in NCKFMASH allow the relationships between the common metapelitic minerals and silicate melt to be determined. In particular, the production of silicate melt and melt loss from such rocks allow observations to be made about the processes involved in producing granulite facies rocks, particularly relating to open‐system behaviour of rocks under high‐grade conditions. 相似文献
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DIANA SUTHERLAND GLENN SHARMAN 《Geology Today》1996,12(2):63-67
With the new BGS Radon Potential Map of Great Britain published, we focus on Northamptonshire, where reports in 1988 of finding the radioactive gas in houses sent shock waves through the local community – and aroused the interest of Leicester University geologists. With the help of local authorities, research has established the main source as the Northampton Sand Formation, at the base of which is a layer of phosphatic pebbles that are relatively rich in uranium. From more than 3000 field measurements over all rocks, a geologically defined Radon Hazard Map of the county has been compiled. 相似文献
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About ScienceDirect 《Organic Geochemistry》2009,40(11):e233-e256
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About ScienceDirect 《Organic Geochemistry》2007,38(12):I-XXIII
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A fully thermodynamic model for mafic melt in CaO–MgO–Al2O3–SiO2 (CMAS) has been calibrated, for calculation of melting equilibria in the pressure range 0–50 kbar. It is intended as a preliminary step towards a large‐system melt model, suitable for exploring melting, melt loss and crystallization processes in a wide range of natural rock compositions. Calibration was performed with attention to the model's behaviour in its compositional subsystems, as a rigorous test of model structure and parameterization. The model is consistent with the latest Holland & Powell thermodynamic data set, and can therefore be used to calculate phase relations in conjunction with the many solid‐phase activity–composition models written for the data set. Model calculations successfully reproduce experimental melting reactions in CMAS spinel lherzolite and garnet lherzolite assemblages, as well as sapphirine‐ and kyanite‐bearing assemblages, at moderate to high pressure. Thermodynamically sensitive features, such as thermal divides are also recovered. However, some changes to the model structure will be required before the model can describe the full range of mafic and ultramafic melt compositions known from experiment at low pressures. 相似文献
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Lower temperature eclogite (with T = 600 °C) represents a significant part of the occurrences of eclogite in orogenic belts. ‘True’ eclogite, with, for example, garnet + omphacite >70%, is well represented in such an occurrence. Calculated phase equilibria in Na2O–CaO–K2O–FeO–MgO–Al2O3–SiO2–H2O–TiO2–O (NCKFMASHTO), for just one rock composition – that of a representative mid‐ocean ridge basalt, morb – are used to see under what circumstances ‘true’ eclogite is predicted to occur. The variables considered are not only pressure (P) and temperature (T) but also water content and oxidation state. The latter two variables are known to exert a significant control on mineral assemblage but are difficult to establish retrospectively from the observed rocks themselves. It is found that whereas oxidation state does have a strong effect on mineral assemblage, the key control on developing ‘true’ eclogite is shown to be temperature and water content. If temperature is established to be <600 °C, water content has to be low (less or much less than that for H2O saturation) in order for ‘true’ eclogite to form. Moreover, unless pressure is at the high end in the range considered, lawsonite eclogite and ‘true’ eclogite will tend to be mutually exclusive, with the former requiring high water content at the lower temperature where it occurs, but the latter requiring low water content. 相似文献
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