Equilibrium
Pre-release
Pre-release
- Module dissociation added with functions to evaluate thermodynamic dissociation constants;
- Module equilibrate added with an equilibrium solver and associated functions;
- Added blackbox_equilibrate function to demonstrate equilibration procedure;
- Fixed indexing error in matrix.assemble for the zeta coefficient matrix;
- Module jfuncs renamed as unsymmetrical;
- As a general terminology change, the Pitzer model interaction coefficients are now instead referred to as parameters, for better consistency with the published literature. As a consequence:
- Module coefficients renamed as parameters;
- Module cflibs renamed as libraries;
- Class CoefficientLibrary renamed as ParameterLibrary, and its abbreviation cflib to prmlib;
- Parameter libraries can now be stored in separate script files.
- Added complete HMW84 parameter library;
- Added all interaction coefficients to MIAMI parameter library - but its calculation results have not yet been tested;
- Fixed multiplier error for
Cphi
values inPM73_TableVI
in tables module; - Added presumably missing
*1e-3
multiplier toCphi
values in all SRRJ87 binary interaction functions; - Added meta-analysis functions in meta module.