The SMART software Overview about File Management and Handling Michael Finkel

1. The SMART softwareOverview about File Management and HandlingMichael Finkel

2. SMART File Management Input files: The working directory before the simulation The SMART executable Catalog files: Contaminant & soil (lithocomponent) characteristics Dimension-File (usually not to be changed) Main input file Optional: + surfact.clg - Catalog file with surfactant specific properties

3. The Catalog Files Contaminant properties (contam.clg) Apparent diffusion coefficient Log-values of distribution coefficients Internal reference number Name Contaminant-specific properties

4. The Catalog Files Soil (lithocomponent) properties (soil.clg) Organic carbon content Intra-particle porosity Empirical tortuosity exponent Dry soild density Name Internal reference number Contaminant-specific properties EU Landfill Scenario 305 limestone 2.00 0.00022 2.1645 0.02

5. Main Input File <name>.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. Main Input File <name>.dat Browsing through the file … Open Input File

7. SMART File Management Output files: The working directory after the simulation Simulation protocol Mass balance files Breakthrough curve(s) of reactive compounds Main output file

8. Main Output File <name>.dat 1st part: various blocks with input data Further blocks: __COLUMN_DATA __SPECIFIC DISCHARGE __CELL_WIDTHS __EFFECTIVE_POROSITY __TIME_DATA

9. Main Output File <name>.dat 2nd part: simulation results Mass input Mass output Mass in column Each time step has ist own section Indices of contaminant, litho-component, and grain size class Concentration values in each of the model cells Concentrations as defined in output control section in main input file

10. Post-Processing of SMART Output Available options Option 1 (if only the main result is of interest) Import of BTC data (file <name>.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 <name>.dat into various TecPlot input data files: <name>.cem.dat : includes entire data matrix (x-value, time-value, all concentration values) <name>.cvt.dat : includes concentrations vs. time data (btcs) <name>.cvx .dat : includes concentrations vs. length data (profiles)

11. Post-Processing of SMART Output The Excel option: an example (source term modelling) Only the breakthrough curve at the column outlet is plotted How to do it: 1. Open <name>.btc from Ecel 2. Add diagram and format it 3. Save as excel file

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

14. Inputfunction C 0 C t 1 btc 0 0 1 2 3 4 5 6 7 8 9 10 11 PV Exercises (2): ex1 to ex5 Source Groundwater Groundwater Groundwater Groundwater Groundwater Conservative Sorption Particle-facilitated Preferential flow Biodegradation Transport transport (+Sorption) 1 1 1 1 1 1 0 1 2 3 4 5 6 7 8 9 10 11 0 1 2 3 4 5 6 7 8 9 10 11 0 1 2 3 4 5 6 7 8 9 10 11 0 1 2 3 4 5 6 7 8 9 10 11 0 1 2 3 4 5 6 7 8 9 10 11 0 1 2 3 4 5 6 7 8 9 10 11 PV PV PV PV PV PV