3.9: TQMODL

TOCGroup 2TQGNPTQNOPGroup 3A-ZGroup 2

GET-MODEL-NAME-OF-PHASE

Use TQMODL to get the model name for a phase

Added for ChemApp version 1.1.3

Synopsis

FORTRAN: CALL TQMODL(INDEXP,NAME,NOERR)

C: tqmodl(indexp,name,&noerr);

Pascal: tqmodl(indexp,name,noerr);

Basic: Call tqmodl(indexp,name,noerr)


Name Type Value set on call or returned
INDEXP INTEGER Set to the index number for a phase
NAME CHARACTER Returns the model name (see Table 9)
NOERR INTEGER Returns an error number

TQMODL returns the model name of the phase INDEXP. If the phase INDEXP is not a mixture phase, the string 'PURE' is returned in variable NAME. Table 9 contains a list of all possible model names.

See also

TQNOP, TQINP, TQGNP

Examples

See TQINP

Table 9: Identifiers of phase model names as returned by TQMODL. An 'M' as 5th character is added if magnetic contributions are considered (not valid for models marked with an asterisk(*)).

Condensed phase models
PURE* Stoichiometric condensed phase
IDMX* Ideal mixing
RKMP Redlich-Kister-Muggianu polynomial
QKTO General polynomial Kohler/Toop formalism
SUBL Compound energy formalism
SUBO* Two-sublattice order/disorder formalism
SUBS* Species chemical potential/bond energy formalism
SUBI* Two-sublattice ionic formalism
SUBM Two-sublattice equivalent fraction formalism
SUBE Extended compound energy formalism
BDEF* Binary defect formalism
QUSL Two-sublattice equivalent fraction formalism as a polynomial
QGTS Guts formalism
GAYE* Gaye-Kapoor-Frohberg cell formalism with or without non-oxidic solutes
QUAS* Modified quasichemical formalism
QSOL* Modified quasichemical formalism with nonoxidic solutes
SUBG Quadruplet quasichemical model
HOCH Hoch-Arpshofen formalism
WAGN Unified interaction parameter formalism
Aqueous models
IDWZ* Ideal aqueous mixing
IDDZ* Davies formalism
PITZ* Pitzer formalism
PIWZ* Pitzer formalism without E-theta and E-theta'
HELZ* Revised Helgeson-Kirkham-Flowers formalism
HTSZ* Helgeson-Tanger-Shock formalism (ideal)
HTWZ* Helgeson-Tanger-Shock formalism (Debye-Hückel)
HTDZ* Helgeson-Tanger-Shock formalism (Davies)
PIHZ* Helgeson-Tanger-Shock formalism (Pitzer)
SITZ* Specific ion-interaction formalism
Gaseous models
IDVT* Virial equation with Tsonopoulos second virial coefficient correlation
IDBS* C-H-O-S-N-Ar superfluid formalism
User-defined models
USP? Nonaqueous model with excess partial Gibbs energies supplied by user
US?Z* Aqueous model with excess partial Gibbs energies supplied by user
USX? Model with partial derivatives dG/dx supplied by user
USG?* Gaseous model with second virial coefficients supplied by user


ChemApp Programmer's Manual, Edition 3.6© GTT-Technologies, 2003