AQUA-MER

Input Parameters

phreeqc	Use default Phreeqc database only
phreeqc+aquamer	Use default Phreeqc database and parameters from Aquamer
phreeqc+calc	Use default Phreeqc database and parameters calculated by Aquamer
phreeqc+aquamer+calc	Use default Phreeqc database, parameters from Aquamer, and parameters calculated by Aquamer

Title: (Title for this solution)

Temperature (℃)

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

Redox state calculation options: (Select one of the methods to calculate redox state)

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

Density: (Density of the solution, kg/L)

Concentration Units: (Default concentration unit for elements in this solution)

Titrant:

Titrant concentration:

Elements/Species	Required. 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
Concentration	Required. Concentration for the input element/species.
Concentration units	Optional. 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 Formula	Optional. Specify a chemical formula for calculating the gram formula weight (GFW). Used to convert mass units into mole units.
GFW & GFW Formula	Optional. Specify the gram formula weight (GFW) for this element/species. Used to convert mass units into mole units.
Redox couple	Optional. 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 keywords	Optional. 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

NOTE	1. 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.

Element	Species	Alkalinity	GFWorFormula	GFWforElement	Note	Ref

Element	Species	Reaction	log K	ΔH	Gamma	Source