Published May 26, 2021 | Version 2.0.1
Software Open

SolveSAPHE-r2 (Solver Suite for Alkalinity-PH Equations - Release 2)

Creators

  • 1. Université de Liège

Description

SolveSAPHE-r2 (Solver Suite for Alkalinity-PH Equations - Release 2) provides a collection of Fortran 90 routines to solve the total alkalinity–pH equation, which relates total alkalinity and pH for a given set of total concentrations of the acid–base systems that contribute to total alkalinity in a given water sample. Carbonate alkalinity can be expressed by specifying the total concentration of dissolved inorganic carbon (CT) or either concentration of CO2, HCO3− or CO32−. The package provides two different iterative solvers for the alkalinity-pH equation, designed to assure convergence with any physically meaningful chemical composition, and in a completely autonomous way. The AlkT & CO32− pair is completely diagnosed and if there are two roots, both are calculated.

The present version 2.0.1 differs from version 2.0 in the following details:

  • test case SW4 was renamed to BW4 and a new test case ABW5 (for anoxic brackish water) was added;
  • in driver_at_carbonate.F90, SW5 was renamed to SW31, to emphasize that it is a variant of SW3;
  • a pre-compiler directive (SOLVESAPHE_V1) was added to driver_at_carbonate.F90 to allow to use it with the version series as well;
  • the user manual was updated to reflect these changes.

Notes

Financial support for the development of SolveSAPHE was provided by the Belgian Fund for Scientific Research – FNRS (project "SERENATA", CDR grant J.0123.19). Guy Munhoven is a Research Associate with the Belgian Fund for Scientific Research – FNRS.

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