Welcome to LookChem.com Sign In | Join Free

Details

Home > Chemical Encyclopedia > Chemical Resource > Chemical Software >
 THERIAK-DOMINO (calculate equilibrium assemblages and equilibrium phase diagrams)
  • THERIAK-DOMINO (calculate equilibrium assemblages and equilibrium phase diagrams)
  • The THERIAK-DOMINO Software is a program collection written by C. de Capitani to calculate equilibrium assemblages and equilibrium phase diagrams. 

    For details on the calculation of equilibrium assemblages see:
    1. de Capitani C. and Brown T.H. (1987): The computation of chemical equilibrium in complex systems containing non-ideal solutions. Geochim. Cosmochim. Acta 51:2639-2652.
    2. Short description of the THERIAK-DOMINO Software
    3. Problem input and database: The format of the database for the thermodynamic calculations is mostly identical to that of "GE0CALC" (or "PTAX") by Perkins, Brown and Berman, 1986.
    4. THERIAK: Calculates equilibrium assemblages. (no graphics). The activities of non-ideal solutions may be calculated either in a separate subroutine or the non-ideal part of G(mix) may be defined with Margules parameters.
    5. THALIA: Calculates and draws thermodynamic functions. (x=T, P, 1000/T or a binary system, y=Cp, H, S, V, G, LnK ...) This program is mainly used to check the input for typing errors and to compare measured and calculated values of Cp, V etc.
    6. THERBIN: Calculates and draws binary (T or P constant) phase diagrams.
    7. THERTER: Calculates and draws ternary (T and P constant) phase diagrams.
    8. DOMINO: Calculates and draws x-y equilibrium phase diagrams. (x,y=P, T, a(i), ln a(i), log a(i) or a pseudo-binary or -ternary System). The diagram shows either areas of equal assemblages, isopleths or the amount of a phase.
    9. EXPLOT: Translates the graphical output of the above programs into a PostScript file.
    10.GUZZLER: Auxiliary program for labeling the reactions, isopleths etc. Uses the graphical output of THALIA or DOMINO and produces a new input for EXPLOT. (see also the flow-charts of THALIA and DOMINO)


    Prev:No record
    Next: SuperPro Designer
  • Back】【Close 】【Print】【Add to favorite
Periodic Table
    Hot Products