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THERMOCALC2013.3
21.Introduction
3Pseudosectionsaremultivariantphasediagramsthatareconstructedforafixedbulkcompositionorforacompositionalvector.Whatisapseudosection?THERMOCALCPerple_XTheriak-DominoRepresentativeprogramsdrawingpseudosections
4TwocompetingapproachesCalculationmethodGibbsenergyminimizer
-locatesfields,notfieldboundaries
-potentialforcalculatingwholediagramsinonerun
-e.g.Perple_X
non-linerequationsolver
-locatesfieldboundaries
-manualassemblyofdiagrams,havinggainedthe informationline-by-line
-e.g.THERMOCALC
52.WhatisTHERMOCALC?
6THERMOCALCisathermodynamiccalculationprogram(PowellHolland,1988)thatusesaninternally-consistentthermodynamicdataset(HollandPowell,1998)toundertakethermobarometryandphasediagramcalculationsformetamorphicrocks.WhatisTHERMOCALC?
7Pressure(P)Temperature(T)Composition(s)(x)Varietyofpseudosections(THERMOCALC)P-TpseudosectionP-x(P-M)pseudosectionT-x(T-M)pseudosection
8Terminalemulator
(Windows:commandprompt,
MacOS:Terminal)Inputfilesmanuallyorautomatically.(Ifyouinsertedfilenameinscriptfile,thefileisinputtedautomatically.)ThephaseswewishtouseThephasetosettozeromode etc…SimplifiedprocessflowWehavetotypein..
9Filestructures(version3.33)Inputfilestc-ds55ortc-ds55sTheinternallysconsistentdatasetversion5.5tc-prefsTheglobalpreferencesfileforTHERMOCALCtc-systeme.g.tc-NCKFMASH:Thea-xcodingforthemineralsinthegivensystemtc-nameThelocalscriptfilefordefiningthetypeofcalculationtobeundertaken,thebulkrockcompositionetc.tc333.exeortc333i.exeThesoftwareformacandwindowsrespectively
10Outputfilestc-logThelogfilewitharecordofthecalculationsundertakenaswellasseveralformsofoutputtc-name-oThebasicoutputfileshowingthefullresultsoftheruntc-name-drThespace-delimitedoutputforcopyingandpastingintodrawpdinputfilesF
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