PHREEQC.in Input File

GENERAL

contains general information, such as the path to the database, the project folder, a number of soil layers and corresponding node numbers, and the project title. All this information, except the last one, is saved as comments (i.e., with the # sign in front). This block is automatically updated by the HYDRUS GUI when the project is saved.

DATABASE

contains additions to the thermodynamic database typically defined using the following PHREEQC keywords: SOLUTION_MASTER_SPECIES, SOLUTION_SPECIES, PHASES, EXCHANGE_MASTER_SPECIES, EXCHANGE_SPECIES, SURFACE_MASTER_SPECIES, SURFACE_SPECIES and RATES. The content is defined in the editor Additions to Thermodynamic Database of the Solute Transport – HP2 Definitions dialog window.

OUTPUT

consists of two parts. The first part starts with the PHREEQC keyword SELECTED_OUTPUT, followed by the information defined in the HP2 Print Information dialog window. This block is automatically updated by the HYDRUS GUI when the project is saved. The second part contains additional specifications to be written to the output files typically defined using the following PHREEQC keywords: USER_PUNCH, USER_PRINT, and SELECTED_OUTPUT. The content is defined in the editor Additional Output of the Solute Transport – HP2 Definitions dialog window.

SOLUTIONDEFINITION

contains definitions of the initial solutions and boundary solutions. The latter is only read from the phreeqc.in input file when the radio button In Solution Compositions in the Solute Transport – HP2 Components is selected. The content is defined in the editor Definitions of Solution Composition of the Solute Transport – HP2 Definitions dialog window.

INITIAL

contains definitions of the initial solutions for each node. The block starts with an END keyword. For each node, both for the mobile and immobile aqueous phases, a MIX – SAVE statement is included with the following format: MIX solution_number; solution_composition water_content; SAVE SOLUTION solution_number; END where solution_number is the solution number (equal to the node number for the mobile aqueous phase and to the node number + N for the immobile aqueous phase, where N is the number of nodes), solution_composition is the solution number composition as defined in the HYDRUS GUI, and water_content is the initial water content as defined in the HYDRUS GUI (either as the initial water content or calculated from the initial pressure head and soil retention parameters). This block is automatically updated by the HYDRUS GUI when the project is saved.

GEOCHEMICAL

contains the definition of the geochemical model typically using the following PHREEQC keywords: EQUILIBRIUM_PHASES, EXCHANGE, SURFACE, KINETICS, and SOLID_SOLUTIONS. The content is defined in the editor Geochemical Model of the Solute Transport – HP2 Definitions dialog window.

TRANSPORT

contains the keywords END, followed by PRINT with the identifiers –reset and -warnings as defined in the HP2 Print Information dialog window, and the keyword TRANSPORT with –cells to define the number of nodes (information from the HYDRUS GUI) and print-, punch- and dump-related identifiers as defined in the HP2 Print Information dialog window. All relevant identifiers for the TRANSPORT keyword are defined via the HYDRUS GUI. This block is automatically updated by the HYDRUS GUI when the project is saved.