ChemApp

ChemApp Functions

Only three stages of programming are necessary to proceed from initialization of the ChemApp routine to the calculation of results:

1. Initialize the interface, read a thermodynamic datafile, and adjust the chemical system
2. Set initial conditions for the equilibrium calculation
3. Perform the calculation and collect results

Initialization functions

• TQINI() - initialize the interface
• TQGIO(Option, Ival, Noerr) - get the value of an output option
• TQCIO(Option, Ival, Noerr) - change the value of an output option
• TQRFIL(File, Noerr) - read a thermodynamic datafile
• TQGSU(Option, Unit, Noerr) - get a system unit
• TQCSU(Option, Unit, Noerr) - change a system unit

Functions for identifying the chemical system

• TQINS(Name, IndexS, NoErr) - get the index number for a system component
• TQGNS(Name, IndexS, NoErr) - get the name for a system component
• TQNOS(Nscom, NoErr) - get the number of system components
• TQSTSC(IndexS, Stoi, Wmass, NoErr) - get the stoichiometry of a system component
• TQCSC(Name, NoErr) - change the system components
• TQINP(Name, IndexP, NoErr) - get the index number for a phase
• TQGNP(IndexP, Name, NoErr) - get the name for a phase
• TQNOP(NPhase, NoErr) - get the number of phases
• TQINPC(Name, IndexP, IndexC, NoErr) - get the index number for a phase constituent
• TQGNPC(IndexP, IndexC, Name, NoErr) - get the name for a phase constituent
• TQNOPC(IndexP, NPCon, NoErr) - get the number of phase constituents
• TQSTPC(IndexP, IndexC, Stoi, Wmass, NoErr) - get the stoichiometry of phase constituents

Functions to get and change the status of a chemical system

• TQGSP(IndexP, Option, NoErr) - get the status of a phase
• TQCSP(IndexP, Option, NoErr) - change the status of a phase
• TQGSPC(IndexP, IndexC, Option, NoErr) - get the status of a phase constituent
• TQCSPC(IndexP, IndexC, Option, NoErr) - change the status of a phase constituent

Functions for defining a calculation

• TQSETC(Option, IndexP, Index, Val, NumCon, NoErr) - set an equilibrium condition
• TQREMC(NumCon, NoErr) - remove an equilibrium condition
• TQSTTP(IdentS, Vals, NoErr) - set name, temperature and pressure for a stream
• TQSTCA((IdentS, IndexP, IndexC, Val, NoErr) - set constituent amounts for a stream
• TQSTEC(Option, IndexP, Val, NoErr) - set an equilibrium condition with input conditions defined by streams
• TQSTRM(IdentS, NoErr) - remove a stream

Functions for calculating and getting results

• TQCE(Option, IndexP, IndexC, Vals, NoErr) - calculate chemical equilibrium
• TQCLIM(Option, Val, NoErr) - change limits of target variables
• TQGETR(Option, IndexP, Index, Val, NoErr) - get calculated equilibrium results
• TQGDPC(Option, IndexP, IndexC, Val, NoErr) - get thermodynamic properties
• TQLE(NoErr) - list results from a calculation
• TQERR(Mess, NoErr) - get an error message