HPGeochemistry & HYDRUS - Step by step
The implementation of a geochemical problem (HPGeochemistry) or a reactive transport problem (HYDRUS) follows a number of steps:
- creating a project (HPGeochemistry and HYDRUS),
- defining the database (HPGeochemistry and HYDRUS),
- defining the transport domain (HYDRUS),
- defining flow and transport properties (HYDRUS),
- defining the geochemical model (HPGeochemistry and HYDRUS),
- setting boundary and initial conditions (HYDRUS).
After executing the calculations, results can be explored via the HYDRUS or HPGeochemistry GUI.
Management of Databases, Projects and Simulations
Before definition of specific simulation problems, following two elements are needed:
- Databases - Available thermodynamic databases need to be organized using the Database Manager.
- Projects
- in HPGeochemistry, simulations are grouped in projects via the Project Manager. The Project Manager enables definitions of new projects, and simulations and management of projects and simulations.
- in HYDRUS, a slightly different naming is used - projects are grouped within a project group. Detailed information on the HYDRUS Projects and Project Manager is found in the help file of HYDRUS.
When a project in HPGEOCHEMISTRY is a Managed Project, a link is made between HPGeochemistry and HYDRUS- see Managed Projects.
Setting up a simulation
In HYDRUS, both a physical (geometry, boundary conditions, initial conditions, flow and transport properties) and a chemical part (database, selection of components, geochemical model) have to be set-up. In HPGEOCHEMISTRY, only a chemical part is defined. Detailed information on the physical part is found in the help file of HYDRUS and is identical to setting it up in HP1 and HP2.
Steps for the implementation of the chemical part are given in Implementing the Geochemical Model.
Running the simulation
When the geochemical model is implemented (HPGEOCHEMISTRY, HYDRUS) and physical part is implemented (HYDRUS), a particular simulation can be executed. In HPGEOCHEMISTRY, a simulation is started from the Main Form. More details are given in Running a Simulation.
Results
Multiple output files are generated when executing HPGEOCHEMISTRY or HYDRUS. Via their respectively GUI, graphical and numerical results can be explored. More details are given in Checking the Simulation Results.