To define the thermodynamic data of an aqueous species, i.e. the chemical reaction, the mass action constant, activity correction coefficients and temperature dependence. In general, SOLUTION_SPECIES is used in the file with the thermodynamic database, but additional information can be stored in the input file phreeqc.in. A specific block is available in the HYDRUS-1D GUI to provide additional thermodynamic data (Solute Transport – HP2 Definition: Additions to Thermodynamic Database).
SOLUTION_SPECIES
association reaction
-llnl_gamma
-co2_llnl_gamma
-dw
-activity_water
-add_constant
-add_logk
association reaction The chemical reaction equation for an aqueous species. The defined aqueous species is the first species to the right of the equal sign. For each aqueous species, an association reaction is defined, followed by a number of identifiers.