References

[Afonso2013]

Afonso JC, Fullea J, Griffin WL, Yang Y, Jones AG, Connolly JAD, O’Reilly SY (2013) 3-D multiobservable probabilistic inversion for the compositional and thermal structure of the lithosphere and upper mantle. I: a priori petrological information and geophysical observables. Journal of Geophysical Research: Solid Earth, vol 118. pp 2586-2617

[Anderson1991]

Anderson GM, Castet S, Schott J, Mesmer RE (1991) The density model for estimation of thermodynamic parameters of reactions at high temperatures and pressures. Geochimica et Cosmochimica Acta 55(7):1769-1779 doi:10.1016/0016-7037(91)90022-w

[Auzanneau2010]

Auzanneau E, Schmidt MW, Vielzeuf D, Connolly JAD (2010) Titanium in phengite: a geobarometer for high temperature eclogites. Contributions to Mineralogy and Petrology 159:1-24 doi:10.1007/s00410-009-0412-7

[Berman1984]

Berman RG, Brown TH (1984) A thermodynamic model for multicomponent melts, with application to the system CaO-Al2O3-SiO2. Geochimica et Cosmochimica Acta 48(4):661-678

[Berman1988]

Berman RG (1988) Internally consistent thermodynamic data for minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O-SiO2-TiO2-H2O-CO2. Journal of Petrology 29:445-552 doi:10.1093/petrology/29.2.445.

[Berman1991]

Berman RG (1991) Thermobarometry Using Multi-Equilibrium Calculations - A New Technique, With Petrological Applications. Canadian Mineralogist 29:833-855 doi:10.2113/gscmp.29.4.833.

[Berman1996]

Berman RG, Aranovich LY (1996) Optimized standard state and solution properties of minerals. I. Model calibration for olivine, orthopyroxene, cordierite, garnet and ilmenite in the system FeO-MgO-CaO-Al2O3-TiO2-SiO2. Contributions to Mineralogy and Petrology 126:1-24

[Bowen1915]

Bowen NL (1915) The crystallization of haplobasaltic, haplodioritic and related magmas. American Journal of Science 40(236):161-185.

[Callen1960]

Callen HB (1991) Thermodynamics and an Introduction to Thermostatistics, 2nd Edition. New York, Wiley. DOI: 10.1063/1.1601081

[Connolly1990]

Connolly JAD (1990) Multivariable phase diagrams: an algorithm based on generalized thermodynamics.. American Journal of Science 290:666-718 doi.org/10.2475/ajs.290.6.666

[Connolly1993]

Connolly JAD, Cesare B (1993) C-O-H-S fluid composition and oxygen fugacity in graphitic metapelites. Journal of Metamorphic Geology 11:368-378 (Errata)

[Connolly1995]

Connolly JAD (1995) Phase diagram methods for graphitic rocks and application to the system C-O-H-FeO-TiO2-SiO2. Contributions to Mineralogy and Petrology 119:94-116 doi.org/10.1007/BF00310720

[Connolly2002]

Connolly JAD, Kerrick DM (2002) Metamorphic controls on seismic velocity of subducted oceanic crust at 100-250 km depth. Earth and Planetary Science Letters 204:61-74.

[Connolly2009]

Connolly JAD (2009) The geodynamic equation of state: What and how. Geochemistry Geophysics Geosystems 10(Q10014) doi:10.1029/2009gc002540 (Errata)

[Connolly2016]

Connolly JAD, Khan A (2016) Uncertainty of mantle geophysical properties computed from phase equilibrium models. Geophysical Research Letters 43 doi:10.1002/2016GL068239

[Connolly2016b]

Connolly JAD (2016) Liquid-vapor phase relations in the Si-O system: A calorically constrained van der Waals-type model. Journal of Geophysical Research: Planets 121:1641-1666 doi:10.1002/2016JE005059

[Connolly2017]

Connolly JAD (2017) A Primer in Gibbs Energy Minimization for Geophysicists. Petrology 25:526-534 doi:10.1134/s0869591117050034

[Connolly2018]

Connolly JAD, Galvez ME (2018) Electrolytic fluid speciation by Gibbs energy minimization and implications for subduction zone mass transfer. Earth and Planetary Science Letters 501:90-102 doi:10.1016/j.epsl.2018.08.024

[Dorn2015]

Dorn C, Khan A, Heng K, Connolly JA, Alibert Y, Benz W, Tackley P (2015) Can we constrain interior structure of rocky exoplanets from mass and radius measurements?. Astronomy & Astrophysics, 19, doi:10.1051/0004-6361/201424915.

[Duesterhoeft2020]

Duesterhoeft E, Lanari P (2020) Iterative thermodynamic modelling-Part 1: A theoretical scoring technique and a computer program (Bingo-Antidote). Journal of Metamorphic Geology 38(5): 527-551, doi:10.1111/jmg.12538

[FruehGreen2004]

Frueh-Green GL, Connolly JAD, Kelley DS, Plas A, Grobéty B (2004) Serpentinization of oceanic peridotites: Implications for geochemical cycles and biological activity (uncorrected proof, 0.6 Mb). AGU Geophysical Monograph 144:119-136.

[Galvez2015]

Galvez ME, Manning CE, Connolly JAD, Rumble D (2015) The solubility of rocks in metamorphic fluids: A model for rock-dominated conditions to upper mantle pressure and temperature. Earth and Planetary Science Letters 430:486-498 doi:10.1016/j.epsl.2015.06.019

[Ghent1976]

Ghent ED (1976) Plagioclase-Garnet-Al2SiO5-Quartz - Potential Geobarometer-Geothermometer. American Mineralogist 61(7-8):710-714 doi:10.2138/am-1976-710.

[Goldschmidt1954]

Goldschmidt VM (1954) Geochemistry. Clarendon Press, Oxford

[Golubkova2016]

Golubkova A, Schmidt MW, Connolly JAD (2016) Ultra-reducing conditions in average mantle peridotites and in podiform chromitites: a thermodynamic model for moissanite (SiC) formation. Contributions to Mineralogy and Petrology 171:41 doi:10.1007/s00410-016-1253-9

[Galvez2016]

Galvez ME, Connolly JAD, Manning CE (2016) Implications for Volatile - Metal Cycles from the pH of Subduction Zone Fluids. Nature 539:420-424 doi:10.1038/nature20103

[Gottschalk1997]

Gottschalk M (1997) Internally consistent thermodynamic data for rock forming minerals. European Journal of Mineralogy 9:175-223.

[Guerri2015]

Guerri M, Cammarano F, Connolly JAD (2015) Effects of chemical composition, water and temperature on physical properties of continental crust. Geochemistry Geophysics Geosystems 16(7):2431-2449 doi:10.1002/2015gc005819

[Green2016]

Green ECR, White RW, Diener JFA, Powell R, Holland TJB, Palin RM (2016) Activity-composition relations for the calculation of partial melting equilibria in metabasic rocks. Journal of Metamorphic Geology 34(9):845-869 doi:10.1111/jmg.12211

[Green2025]

Green ECR, Powell R (2025) A new method in geothermobarometry: avPT+. Journal of Metamorphic Geology, submitted?

[Green2025b]

Green ECR, Holland TJB, Powell R, Weller OM, Riel N, et al. (2025) Corrigendum to: Melting of Peridotites through to Granites: A Simple Thermodynamic Model in the System KNCFMASHTOCr, and, a Thermodynamic Model for the Subsolidus Evolution and Melting of Peridotite. Journal of Petrology 66(1):egae079 doi:10.1093/petrology/egae079

[Hacker2004]

Hacker BR, Abers GA (2004) Subduction Factory 3: An Excel worksheet and macro for calculating the densities, seismic wave speeds, and H2O contents of minerals and rocks at pressure and temperature. Geochemistry Geophysics Geosystems 5:Q01005 doi:10.1029/2003GC000614

[Helffrich2009]

Helffrich G, Connolly JAD (2009) Physical contradictions and remedies using simple polythermal equations of state. American Mineralogist 94:1616-1619, doi:10.2138/am.2009.3262

[Helgeson1978]

Helgeson HC, Delany JM, Nesbitt HW, Bird DK (1978) Summary and critique of the thermodynamic properties of rock forming minerals. American Journal of Science 278-A:1-229 doi:10.2475/ajs.278A.1.1

[Helgeson1981]

Helgeson HC, Kirkham DH, Flowers GC (1981) Theoretical prediction of the thermodynamic behavior of aqueous-electrolytes at high pressures and temperatures. 4. Calculation of activity-coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600 C and 5 kb. American Journal of Science 281:1249-1516

[Hillert1986]

Hillert M (1986) Principles of phase diagrams. International Metals Reviews 31(1): 1-24 doi:10.1179/imtr.1986.31.1.1

[Holland1985]

Holland TJB, Powell R (1985) An Internally Consistent Thermodynamic Dataset With Uncertainties and Correlations .2. Data and Results. Journal of Metamorphic Geology 3(4):343-370 doi:10.1111/j.1525-1314.1985.tb00325.x

[Holland1998]

Holland TJB, Powell R (1998) An internally consistent thermodynamic data set for phases of petrological interest. Journal of Metamorphic Geology 16(3):309-343 doi:10.1111/j.1525-1314.1998.00140.x

[Holland2011]

Holland TJB, Powell R (2011) An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. Journal of Metamorphic Geology 29:333-383 doi:10.1111/j.1525-1314.2010.00923.x

[Holland2018]

Holland TJB, Green ECR, Powell R (2018) Melting of Peridotites through to Granites: A Simple Thermodynamic Model in the System KNCFMASHTOCr. Journal of Petrology 59(5):881-899 doi:10.1093/petrology/egy048

[Johnson1992]

Johnson JW, Oelkers EH, Helgeson HC (1992) SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000 C. Computers and Geosciences 18:899-947.

[Kang2016]

Kang N, Schmidt MW, Poli S, Connolly JAD, Franzolin E (2016) Melting relations in the system FeCO3-MgCO3 and thermodynamic modelling of Fe-Mg carbonate melts. Contributions to Mineralogy and Petrology 171:74 doi:10.1007/s00410-016-1283-3

[Khan2006]

Khan A, Connolly JAD, Olsen N (2006) Constraining the composition and thermal state of the mantle beneath Europe from inversion of long-period electromagnetic sounding data. Journal of Geophysical Research-Solid Earth 111(B10) doi:10.1029/2005JB004051.

[Khan2021]

Khan D, Liebske C, and Connolly JAD (2021) An Algorithm for Thermodynamic Parameter Optimization: Application to the Martian Mantle. Geochemistry Geophysics Geosystems 22(5) doi:10.1029/2020gc009399

[Klemme2009]

Klemme S, Ivanic TJ, Connolly JAD, Harte B (2009) Thermodynamic modelling of Cr-bearing garnets with implications for diamond inclusions and peridotite xenoliths. Lithos 112S:986-991 doi:10.1016/j.lithos.2009.05.007

[Komabayashi2006]

Komabayashi T, Omori S (2006) Internally consistent thermodynamic data set for dense hydrous magnesium silicates up to 35 GPa, 1600 degrees C: Implications for water circulation in the Earth’s deep mantle. Physics of the Earth and Planetary Interiors 156(1-2):89-107 doi:10.1016/j.pepi.2006.02.002

[MINIM]

A modification of the ASA047 Fortran code of Kirkpatrick S, Gelatt CD, and Vecchi MP (1983) Optimization by Simulated Annealing. Science 220(4598): 671-680. Programmed by DE Shaw, CSIRO, Division of Mathematics & Statistics, with amendments by RWM Wedderburn, Rothamsted Experimental Station, and further amendments by Alan Miller, CSIRO, Division of Mathematics & Statistics.

[Korzhinskii1959]

Korzhinskii DS (1959) Physicochemical basis of the analysis of the paragenesis of minerals. Consultants Bureau, Inc., New York

[Lanari2019]

Lanari P, Vho A, Bovay T, Airaghi L, Centrella S (2019) Quantitative compositional mapping of mineral phases by electron probe micro-analyser. Geological Society of London, Special Publications, 478, 39-63

[LopezSanchezVizcaino1997]

Lopez Sanchez-Vizcaino V, Connolly JAD, Gomez Pugnaire MT (1997) Metamorphism and phase relations in carbonate rocks from the Nevado-Filabride Complex (Cordilleras Beticas, Spain): application of the Spn+Rt+Cal+Qtz+Gr buffer. Contributions to Mineralogy and Petrology 126:292-302

[Mackay2024]

Mackay-Champion T, Cawood IP (2024) LinaForma: Initial release. Zenodo, doi:10.5281/ZENODO.11110440

[Mackay2025]

Mackay-Champion T, Anderson LM, Cawood IP, Riel N (2025) Rock Solid Inference: Bayesian Methods for Estimating Pressure, Temperature, and Other Parameters in Metamorphic Systems. Abstracts with Programs, Metamorphic Studies Group Research-in-Progress Meeting.

[Nerone2025]

Nerone S, Lanari P, Dominguez H, Forshaw JB, Groppo C, Rolfo F (2025) IntersecT: a Python script for quantitative isopleth thermobarometry of equilibrium and disequilibrium systems. Computers & Geosciences 202, doi:10.1016/j.cageo.2025.105949.

[ONeill1971]

O’Neill R (1971) Algorithm AS 47: Function Minimization Using a Simplex Procedure, Applied Statistics Journal of the Royal Statistical Society, Series C, 20(3):338-345.

[Pitsch2025]

Pitsch S, Connolly JAD, Schmidt MW, Sossi PA, Liebske C (2025) Solids and liquids in the (Fe, Mg, Ca)S-system: experimentally determined and thermodynamically modelled phase relations. Physics and Chemistry of Minerals 52(2): doi:10.1007/s00269-025-01313-z

[Pitzer1994]

Pitzer KS, Sterner SM (1994) Equations of state valid continuously from zero to extreme pressures for H2O and CO2. Journal of Chemical Physics 101:3111-3116 doi:10.1063/1.467624

[Powell1988]

Powell R, Holland TJB (1988) An Internally Consistent Dataset With Uncertainties and Correlations .3. Applications to Geobarometry, Worked Examples and a Computer-Program. Journal of Metamorphic Geology 6(2):173-204 doi:10.1111/j.1525-1314.1988.tb00415.x

[Samuel2019]

Samuel VO, Harlov DE, Kwon S, Sajeev K (2019) Silicate, Oxide and Sulphide Trends in Neo-Archean Rocks from the Nilgiri Block, Southern India: the Role of Fluids During High-grade Metamorphism. Journal of Petrology, 60(5):1027-1062, doi: 10.1093/petrology/egz023

[Schmid1978]

Schmid R, Cressey G, Wood BJ (1978) Experimental-Determination of Univariant Equilibria Using Divariant Solid-Solution Assemblages. American Mineralogist 63(5-6):511-515 doi:10.2138/am-1978-5116.

[Shock1992]

Shock EL, Oelkers EH, Johnson JW, Sverjensky DA, Helgeson HC (1992) Calculation of the thermodynamic properties of aqueous species at high pressures and temperatures - effective electrostatic radii, dissociation-constants and standard partial molal properties to 1000 C and 5 kbar. Journal of the Chemical Society-Faraday Transactions 88:803-826 doi:10.1039/ft9928800803

[Stixrude2005]

Stixrude L, Lithgow-Bertelloni C (2005) Mineralogy and elasticity of the oceanic upper mantle: Origin of the low-velocity zone. Journal of Geophysical Research-Solid Earth 110.

[Stixrude2011]

Stixrude L, Lithgow-Bertelloni C (2011) Thermodynamics of mantle minerals - II. Phase equilibria. Geophysical Journal International 184:1180-1213 doi:10.1111/j.1365-246X.2010.04890.x

[Stixrude2024]

Stixrude L, Lithgow-Bertelloni C (2024) Thermodynamics of mantle minerals – III: the role of iron. Geophysical Journal International 237(3):1699-1733 doi:10.1093/gji/ggae126.

[Sverjensky2014]

Sverjensky DA, Harrison B, Azzolini D (2014) Water in the deep earth: The dielectric constant and the solubilities of quartz and corundum to 60 kb and 1200 C. Geochimica et Cosmochimica Acta 129:125-145 doi:10.1016/j.gca.2013.12.019

[Tajcmanova2009]

Tajcmanová L, Connolly JAD, Cesare B (2009) A thermodynamic model for titanium and ferric iron solution in biotite. Journal of Metamorphic Geology 27:153-164 doi:10.1111/j.1525-1314.2009.00812.x

[Tanger1988]

Tanger JC, Helgeson HC (1988) Calculation of the thermodynamic and transport-properties of aqueous species at high pressures and temperatures - revised equations of state for the standard partial molal properties of ions and electrolytes. American Journal of Science 288:19-98

[Thompson1969]

Thompson JB (1969) Chemical Reactions in Crystals. American Mineralogist 54(3-4):341-364, doi:10.2138/am-1969-3414.

[Tomlinson2021]

Tomlinson EL, Holland TJB (2021) A thermodynamic model for the subsolidus evolution and melting of peridotite. Journal of Petrology 62(1): egab012 doi:10.1093/petrology/egab012

[Tisza1961]

Tisza L (1961) The thermodynamics of phase equilibrium. Annals of Physics 13(1): 1-92.

[Weller2024]

Weller OM, Holland TJB, Soderman CR, Green ECR, Powell R, Beard CD, Riel N (2024) New Thermodynamic Models for Anhydrous Alkaline-Silicate Magmatic Systems. Journal of Petrology 65(10): egae098 doi:10.1093/petrology/egae098

[White2000]

White RW, Powell R, Holland TJB, Worley BA (2000) The effect of TiO₂ and Fe₂O₃ on metapelitic assemblages at greenschist and amphibolite facies conditions: mineral equilibria calculations in the system K₂O-FeO-MgO-Al₂O₃-SiO₂-H₂O-TiO₂-Fe₂O₃. Journal of Metamorphic Geology 18:497-511.

[Xu2008]

Xu WB, Lithgow-Bertelloni C, Stixrude L, Ritsema J (2008) The effect of bulk composition and temperature on mantle seismic structure. Earth and Planetary Science Letters 275:70-79.

[ZhangDuan2005]

Zhang ZG, Duan ZH (2005) Prediction of the PVT properties of water over wide range of temperatures and pressures from molecular dynamics simulation. Physics of the Earth and Planetary Interiors 149:335-354 doi:10.1016/j.pepi.2004.11.003