1. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen The SMART software Overview about File Management and Handling Michael Finkel

2. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen SMART File Management Input files: The working directory before the simulation The SMART executableCatalog files: Contaminant & soil (lithocomponent) characteristicsDimension-File (usually not to be changed) Main input file Optional: + surfact.clg - Catalog file with surfactant specific properties

3. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen The Catalog Files Contaminant properties (contam.clg) Internal reference numberNameContaminant-specific properties Apparent diffusion coefficientLog-values of distribution coefficients

4. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen The Catalog Files Soil (lithocomponent) properties (soil.clg) Internal reference numberNameContaminant-specific properties Empirical tortuosity exponentOrganic carbon contentIntra-particle porosity Dry soild density EU Landfill Scenario 305limestone2.000.000222.16450.02

5. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen Main Input File.dat Some preliminary general remarks Each input section starts with a keyword After exclamation mark and in between sections input file can be commented Input file is divided into various input sections

6. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen Main Input File.dat Browsing through the file … Open Input File

7. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen SMART File Management Output files: The working directory after the simulation Simulation protocolMass balance filesBreakthrough curve(s) of reactive compounds Main output file

8. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen Main Output File.dat 1st part: various blocks with input data Further blocks: __COLUMN_DATA __SPECIFIC DISCHARGE __CELL_WIDTHS __EFFECTIVE_POROSITY __TIME_DATA

9. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen Main Output File.dat 2nd part: simulation results Mass input Mass output Mass in column Concentrations as defined in output control section in main input file Indices of contaminant, litho-component, and grain size class Concentration values in each of the model cells Each time step has ist own section

10. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen Post-Processing of SMART Output Option 1 (if only the main result is of interest) Import of BTC data (file.btc) into Excel Option 2 (if further insight into development in column is wanted) Use of smart2tp (SMART to TecPlot): program converts main output data.dat into various TecPlot input data files:.cem.dat:includes entire data matrix (x-value, time-value, all concentration values).cvt.dat:includes concentrations vs. time data (btcs).cvx.dat:includes concentrations vs. length data (profiles) Available options

11. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen Post-Processing of SMART Output The Excel option: an example (source term modelling) How to do it: 1. Open.btc from Ecel 2. Add diagram and format it 3. Save as excel file Only the breakthrough curve at the column outlet is plotted

12. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen Post-Processing of SMART Output Plotting with TecPlot: an example (source term modelling) Labels are automatically generated Layout has to be defined by the user in TecPlot BTCs for different locations in the column (as specified by the user using smart2p)

13. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen 20 m low- contaminated landfill material (source) 1 m groundwater unsaturated zone landfill parameter: solid density: 2164.5 kg m -3 porosity: 0.3 permeability: 10-5 m s -1  saturation: 30 % infiltration rate: 300 mm a -1 unsaturated zone parameter: solid density: 2164.5 kg m -3 porosity: 0.3 permeability: 10-7 m s -1  saturation*: 97 % ≈ 100% P 1 P 2 Contaminant concentration at P 1 : source-term modelling Contaminant concentration at P 2 : transport modelling Exercises (1): EU landfill scenario Exercise III: Source Term Modelling Exercise IV - VI: Transport Modelling Exercise I: Program Handling Exercise II: Conservative Transport

14. Center for Applied Geoscience - Chair of Applied Geology Research Center at the University of Tübingen Exercises (2): ex1 to ex5 0 1 2 3 4 5 6 7 8 9 10 11 PV 1 0 btc t C 0 C Inputfunction Groundwater Source 0 1 2 3 4 5 6 7 8 9 10 11 PV 1 0 1 2 3 4 5 6 7 8 9 10 11 PV 1 0 1 2 3 4 5 6 7 8 9 10 11 PV 1 0 1 2 3 4 5 6 7 8 9 10 11 PV 1 0 1 2 3 4 5 6 7 8 9 10 11 PV 1 Sorption Biodegradation Particle-facilitated transport (+Sorption) Preferential flow Groundwater Conservative Transport 0 1 2 3 4 5 6 7 8 9 10 11 PV 1