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POLYMIN 2005 y y 10 5 0 10 5 0 10 flow system O 2 pH y 5 y y 0 10 SO 4 5 0 10 Fe(III) 5 0 0 50 100 150 200 Distance (m) POLYMIN simulation results for example data set (provided in previous section), after 10 years. 36
POLYMIN 2005 5. STEP BY STEP INSTRUCTIONS POLYMIN is a mass transport model which assumes a steady state velocity field. The velocity field can be obtained either from the FLONET model for saturated systems (Molson & Frind, 2004), or from the HYDRUS2D model (Simunek et al., 1999). In either case, the output files must converted to POLYMIN input format by running a “processing” code (process_flonetpoly.exe, or process_hydrus-poly.exe). Steps 1 & 2 below assume the flow field will be derived from the FLONET model. If running directly from a HYDRUS flow simulation, steps 1 & 2 can be skipped and replaced with steps 1b & 2b which follow. 1. Simulate the flow system (refer to the FLONET user guide) • edit the fnpcg.data file • make sure kp=1 to get required output files • run fnpcg.exe • transfer these file to your transport directory: flow.vxyst, flow.incid, flow.nodes 2. Convert flow system file formats for transport: • edit process_flonet-poly.in to adjust gradius, fs2, and source nodes for oxidation • run process_flonet-poly.exe • you should now have these files for input to POLYMIN: meshtria.txt, bdy.txt, v.txt, nodeprop.txt, th.txt (mesh, boundary nodes, velocities, nodal properties & water content) 3. Prepare transport input files • edit polymin.in (must contain the name of your input file; e.g. polymin.dat) • edit polymin.dat (primary input file), check path to data base • edit bkgrndpoly.min (contains background chemistry data) • check database files: alk.dbm, analy.dbm, compcp.dbm, error.dbm, thermcp.dbm, type6cp.dbm 4. Run polymin5.exe 5. Interpret results: • Check if job ran completely: check polymino.gen • Aqueous component output: polymin.ur1 (Tecplot-compatible file of x,z,O2, ph, aqueous components, etc) • Solid species (minerals) output: polymin.ur2 (x,z, solid species) • Edit polyminbrkaq_nn.out and polyminbrks_nn.out files – replace “999” in the third line with the number of data lines (= number of time levels) • Use Tecplot to visualize the above files 37
Page 1 and 2: POLYMIN Version 3.0 2D REACTIVE MAS
Page 3 and 4: POLYMIN 2005 TABLE OF CONTENTS page
Page 5 and 6: POLYMIN 2005 1. INTRODUCTION 1.1 Ov
Page 7 and 8: POLYMIN 2005 1.3 Software Support I
Page 9 and 10: POLYMIN 2005 where S k is the solid
Page 11 and 12: POLYMIN 2005 model involves three s
Page 13 and 14: POLYMIN 2005 The three basic mathem
Page 15 and 16: POLYMIN 2005 Solution Strategy POLY
Page 17 and 18: POLYMIN 2005 Discretization Criteri
Page 19 and 20: POLYMIN 2005 2.3 Primary Variables
Page 21 and 22: POLYMIN 2005 2.5 Input/Output File
Page 23 and 24: POLYMIN 2005 Table 3. Summary of tr
Page 25 and 26: POLYMIN 2005 4. SAMPLE DATA SET The
Page 27 and 28: POLYMIN 2005 Input options 1.0 0.5
Page 29 and 30: POLYMIN 2005 Data Block 1 0 0 0 ;IS
Page 31 and 32: POLYMIN 2005 Tolerance and relative
Page 33 and 34: POLYMIN 2005 Background aqueous che
Page 35: POLYMIN 2005 Input File: Bkgrndpoly
Page 39 and 40: POLYMIN 2005 6. TIPS AND TECHNIQUES
Page 41 and 42: POLYMIN 2005 8. REFERENCES Aachib,
Page 43 and 44: POLYMIN 2005 Molson, J.W., Fala, O.
Page 45 and 46: POLYMIN 2005 Example 1: Geochemical
Page 47 and 48: POLYMIN 2005 Bkgrndpoly.min (from E
Page 49 and 50: POLYMIN 2005 Input Data file for Ex
Page 51: POLYMIN 2005 500 1.386E-03 ;NA " 41

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