O. Atteia ENSEGID Bordeaux 24/3/2014 iPHT3D basics O. Atteia ENSEGID Bordeaux 24/3/2014

Objectives Pre- and postprocess Modflow, MT3DMS and PHT3D (Sutra, Min3p) 2D, 3D and radial flow Must be simple to use Rapid, instantaneous visualization Automatic interpretation of Phreeqc databases (no need to define reaction modules)

Major Features Data are spatially coded (zones)  grid independent data input X-section and Radial models All data input are done in the same window PHT3D data are entered as solutions and not as individual concentrations Spatial variables can be entered as a formula, imported or interpolated Batch capacities due to python language

Interface Spatial Attributes creation and management Selecting data to be visualized Interactive data input and viewing of results Entering model parameters Toolbox

Spatial Attributes Value for the whole domain Modifying Zones : values moving changing points Creating Zones Resulting grid can be viewed in Results --> variable

Names of modules MODFLOW MT3DMS DIS : discretization BAS6 : base values LPF : hydraulic conductivity WEL : well discharge PCG : solver options MT3DMS BTN : porosity, initial conditions ADV : advection DSP : dispersion GCG : solver RCT : reactions

Variable Grid

Running Modflow Set time frame (it will be valid for all models, can be changed, but MODFLOW needs to be rerun) Optional : change solver type or parameters Run modflow A dialog Box with LAST TIME STEP should appear

Visualisation of Results Right panel, choose the time step Verify that the boundary conditions give fixed values (head) Visualise velocity vectors (flux) Particle tracking observation points can be chosen after run

Modify contours User-defined linear scale Remove ‘automatic’ tick ! If using log scale leave interval at 1 List values allow to fix an arbitrary list of values : [0.01, 2., 35.] Colors can be modified

Transport Boundary condition for transport must be set (often a line of fixed concentrations) Set dispersivities Optional: Solver or MT3DMS method parameters MT3DMS uses flow data from MODFLOW so if you want to change transport rerun MODFLOW Run MT3DMS

PHT3D Import pht3d_datab.dat Initial conditions are given in ph.3 (solutions, zones of mineral assemblage, exchanger...) Database rate expressions are in the phreeqc database file But rate values, reaction formula, surface area... are in iPHT3D interface

Chemistry input

PHT3D Enter the zones for each solution (or phase assemblage) For each zone you can associate a solution, a phase (+exchange and surface) by their numbers defined before Run PHT3D A dos window opens, It may take time It is advised to start with a coarse grid and then refine it (run modflow between)