5.4: TQCENL

TOCGroup 5TQCENTQMAPGroup 1A-ZGroup 5

CALCULATE-EQUILIBRIUM-NO-ESTIMATES-AND-LIST-RESULTS

Use TQCENL to calculate the equilibrium, taking results from the previous equilibrium calculation as initial estimates, and list the results in the form of a ChemSage format output table.

Added for ChemApp version 5.0.0

Synopsis

FORTRAN: CALL TQCENL(OPTION,INDEXP,INDEXC,VALS,NOERR)

C: tqcenl(option,indexp,indexc,vals,&noerr);

Pascal: tqcenl(option,indexp,indexc,vals,noerr);

Basic: Call tqcenl(option,indexp,indexc,vals,noerr)


Name Type Value set on call or returned
OPTION CHARACTER Set to a string as shown in Table 16
INDEXP INTEGER Set to the index number for a phase, if necessary
INDEXC INTEGER Set to the index number for a constituent, if necessary
VALS Array of 2 of
DOUBLE PRECISION
Set to an initial estimate of the target variable, or the lower and upper limits of an incoming amount, if necessary
NOERR INTEGER Returns an error number

The parameters and their conditions are identical to those for TQCE, TQCEL, and TQCEN. A result table is produced after finishing the calculations and is written to unit LIST, see Table 6. The amount unit used in the output table is the one which is currently selected (i.e. 'mol' by default).

See the description for TQCEN with respect to possible errors messages returned by TQCENL.

See also

TQCE, TQCEN

Examples

See TQCE


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