Theriak_D

A new add-on for the Theriak/Domino software package


  • 1. Download the folder theriakd_example1

  • 2. Start the system shell application (Windows: DOS; Mac: Terminal) and go to the directory of the downloaded folder, e.g. type:

      cd ../theriakd_example1
  • 3. Type in the shell:

      theriakd in THERIN
    • theriakd     (is the command to execute Theriak_D)

    • in           (is the name of the input-file. It contains following lines: 1.database 2.temperature 3.pressure 4.command (see Table 1)

    • THERIN       (is the name of the composition file)
  • 4. You will receive an output value in the shell. The value for this explicit example is 2.652988


  • Command names and corresponding explanation. A command should be written in the fourth line of the input-file.

    CommandExplanation
    DENSOL total density of solids
    VOLSOLtotal volume of solids
    WTSOL total weight of solids
    GTOT Free Gibbs Energy (System)
    HTOT Enthalpy
    STOT Entropy
    CPTOT isobaric heat capacity
    CPRHO heat capacity * density of solids ~ thermal conductivity
    KS adiabatic bulk modulus (GPa)
    KT isothermal bulk modulus (GPa)
    EXPAN thermal expansivity
    H Hydrogen in free fluid water [mol]
    DENH2O density of free fluid H2O [g/cm3]
    H2OSOL H2O in solids [mol]
    WH2OSOL H2O in solids [g]
    WPH2OSOL H2O in solids [wt%]
    *X????$$ Number of moles of an element within a phase [mol]
    ???? = First 4 letters of a phase abbreviation or solution
    $$ = element-abbreviation in capital letters
    EXAMPLE 1: *XFo SI = SI in phase 'forsterite' [mol]
    EXAMPLE 2: *XGARNSI = SI in GARNET solution [mol]
    *M???? Number of moles of a phases [mol] ???? = First 4 letters of a
    phase abbreviation or solution
    *W???? Weight percent of a phase [wt%] ???? = First 4 letters of a
    phase abbreviation or solution
    *V???? Volume percent of a phase [vol%] ???? = First 4 letters of a
    phase abbreviation or solution
    DENMELT density of melt [g/cm3]
    (only applicable with tcdb55 database)
    MMELT MELT-Number of moles (Si Al Fe Mg Ca Na K H O)
    (only applicable with tcdb55 database)
    KDCTDCAR KD-value(Fe-Mg) Chloritoid - Carpholite
    KDCTDCHL KD-value(Fe-Mg) Chloritoid - Chlorite
    KDGRTBT KD-value(Fe-Mg) Garnet - Biotite
    KDGRTCPX KD-value(Fe-Mg) Garnet - Clinopyroxene
    KDGRTOPX KD-value(Fe-Mg) Garnet- Orthopyroxene
    KDOPXCPX KD-value(Fe-Mg) Orthopyroxene - Clinopyroxene
    KDOLGRT KD-value(Fe-Mg) Olivine - Garnet
    KDOLOPX KD-value(Fe-Mg) Olivine - Orthopyroxene
    KDOLCPX KD-value(Fe-Mg) Olivine - Clinopyroxene