Input Parameters

SOLUTION 1

Thermodynamics constants database

phreeqcUse default Phreeqc database only
phreeqc+aquamerUse default Phreeqc database and parameters from Aquamer
phreeqc+calcUse default Phreeqc database and parameters calculated by Aquamer
phreeqc+aquamer+calcUse default Phreeqc database, parameters from Aquamer, and parameters calculated by Aquamer


Environmental conditions for this solution

(Title for this solution)

Temperature (℃)

          (For single pH solution, set pH (max) equal to pH (min))    

(Select one of the methods to calculate redox state)

(If using redox couple (e.g. O(-2)/O(0) ), make sure include one/both species in the Elements/Species section.)

(Density of the solution, kg/L)

(Default concentration unit for elements in this solution)


Elements/species in this solution

Elements/SpeciesRequired. The elements (this is 'elements' as defined by PHREEQC, not 'chemical elements'), or species for organic molecules, in the solution. All available elements and species in the AQUA-MER database can be found from HERE
ConcentrationRequired. Concentration for the input element/species.
Concentration unitsOptional. Concentration units for this element/species. If not specified, the default units defined above will be applied. All available units can be found from the drop-down list of "Concentration Units" in the above section. Please use the abbreviation of the unit not the full name in the parentheses, e.g. ppm.
AS & AS FormulaOptional. Specify a chemical formula for calculating the gram formula weight (GFW). Used to convert mass units into mole units.
GFW & GFW FormulaOptional. Specify the gram formula weight (GFW) for this element/species. Used to convert mass units into mole units.
Redox coupleOptional. Redox couple for this element/species. If not specified, the default redox couple defined above will be applied. See HERE for how to define redox couple.
Additional keywordsOptional. Other keywords for this element/species, such as phase name, saturation index, and charge balance etc. If multiple keywords are specified, please separate them with blanks.

Elements/Species Concentration Concentration units AS AS Formula GFW GFW Formula Redox couple Additional keywords

NOTE1. At least one of the species in this section should be specified for charge balance. (Input 'charge' as an additional keyword to that species.)
2. If using redox couple (e.g. O(-2)/O(0)) to calculate the redox state, make sure include one/both species in the Elements/Species section.


Parameters in AQUA-MER:

SOLUTION_MASTER_SPECIES

Element Species Alkalinity GFWorFormula GFWforElement Note Ref


SOLUTION_SPECIES

Element Species Reaction log K ΔH Gamma Source