Three-dimensional density-dependent flow and multicomponent reactive transport modeling of chlorinated solvent oxidation by potassium permanganate

Journal of Contaminant Hydrology

Volumn 106, Issue 3-4, 2009, Pages 195-211

  Henderson, Thomas H ^a,d   Mayer, K Ulrich ^a   Parker, Beth L ^b   Al, Tom A ^c  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^b UNIVERSITY OF GUELPH   (Canada)

^c UNIVERSITY OF NEW BRUNSWICK   (Canada)

^d Montana Department of Environmental Quality   (United States)

Author keywords

Chemical oxidation; Density dependent flow; Field data comparison; Groundwater remediation; Permanganate; Reactive transport modeling

Indexed keywords

CHEMICAL OXIDATION; DENSITY DEPENDENT FLOW; FIELD DATA COMPARISON; GROUNDWATER REMEDIATION; PERMANGANATE; REACTIVE TRANSPORT MODELING;

CARBON INORGANIC COMPOUNDS; DISSOLUTION; GROUNDWATER POLLUTION; GROUNDWATER RESOURCES; HYDROGEOLOGY; ION EXCHANGE; MANGANESE COMPOUNDS; ORGANIC COMPOUNDS; OXIDATION; PHASE INTERFACES; POLLUTION; SOLUTE TRANSPORT; THREE DIMENSIONAL; THREE DIMENSIONAL COMPUTER GRAPHICS; UNDERGROUND RESERVOIRS;

AQUIFERS;

GROUND WATER; PERMANGANATE POTASSIUM; SOLVENT;

AQUIFER POLLUTION; AQUITARD; CHLORINATION; CONCENTRATION (COMPOSITION); DENSITY DEPENDENCE; ENVIRONMENTAL FATE; FLOW MODELING; ION EXCHANGE; MANGANESE; OXIDATION; POLLUTANT TRANSPORT; POTASSIUM; REMEDIATION; SOLUTE TRANSPORT; THREE-DIMENSIONAL FLOW; WATER TREATMENT;

ARTICLE; CHLORINATION; CONCEPTUAL FRAMEWORK; GEOCHEMISTRY; ION EXCHANGE; OXIDATION; PERMEABILITY; POROSITY; PRIORITY JOURNAL; SOLUTE; TRANSPORT KINETICS; WATER FLOW;

HALOGENATION; MODELS, THEORETICAL; OXIDATION-REDUCTION; POTASSIUM PERMANGANATE; SOLVENTS; WATER MOVEMENTS; WATER POLLUTANTS, CHEMICAL; WATER PURIFICATION;

EID: 64849115064     PISSN: 01697722     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jconhyd.2009.02.009     Document Type: Article

References (70)

1. 4. J. Contam. Hydrol. 88 (2006) 137-152
2. Ball J.W., and Nordstrom D.K. User′s manual for WATEQ4F, with revised thermodynamic data base and test cases for calculating speciation of major, trace, and redox elements in natural waters. U.S. Geological Survey Open-File Report (1991) 91-183 189 pp.
3. Bauer-Gottwein P., Langer T., Prommer H., Wolski P., and Kinzelbach W. Okavango Delta Islands: interaction between density-driven flow and geochemical reactions under evapo-concentration. J. Hydrol. 335 (2007) 389-405
4. Bear J. Hydraulics of Groundwater (1979), McGraw Hill, New York 567 pp.
5. Brovelli A., Mao X., and Barry D.A. Numerical modeling of tidal influence on density-dependent contaminant transport. Water Resour. Res. 43 (2007) W10426 10.1029/2006WR005173
6. Carman P.C. Fluid flow through a granular bed. Trans. Inst. Chem. Eng. London 15 (1937) 150-156
7. Carsel R.F., and Parrish R.S. Developing joint-probability distributions of soil-water retention characteristics. Water Resour. Res. 24 (1988) 755-769
8. Chapman S.W., and Parker B.L. Plume persistence due to aquitard back-diffusion following DNAPL source removal or isolation. Water Resour. Res. 41 (2005) W12411 10.1029/2005WR004224
9. Chapman S.W., Parker B.L., Cherry J.A., Aravena R., and Hunkeler D. Groundwater-surface water interaction and its role on TCE groundwater plume attenuation. J. Contam. Hydrol. 91 (2007) 203-232
10. CRC. Handbook of Chemistry and Physics. 88th ed (2007). http://www.hbcpnetbase.com/ http://www.hbcpnetbase.com/
11. Forsyth P.A., Wu Y.S., and Pruess K. Robust numerical methods for saturated-unsaturated flow with dry initial conditions in heterogeneous media. Adv. Water Resour. 18 (1995) 25-38
12. Freedman V., and Ibaraki M. Effects of chemical reactions on density-dependent fluid flow: on the numerical formulation and the development of instabilities. Adv. Water Resour. 25 (2002) 439-453
13. Frind E.O. Seawater intrusion in continuous coastal aquifer-aquitard systems. Adv. Water Resour. 5 (1982) 89-97
14. Gavaska A., and Yoon W.S. Demonstration of ISCO Treatment of a DNAPL Source Zone at Launch Complex 34 in Cape Canaveral Air Station, final report prepared by Battelle Memorial Inst. for the Interagency DNAPL Consortium (2002) 295 pp.
15. Graf T., and Therrien R. Coupled thermohaline groundwater flow and single-species reactive solute transport in fractured porous media. Adv. Water Resour. 30 (2007) 742-771
16. Gonullu, T., Farquhar, G., 1989. Oxidation to remove TCE from soil, Department of Civil Engineering, University of Waterloo, unpublished manuscript, available for download at http://www.civil.uwaterloo.ca/groundwater/oxlitrev.html.
17. Guo W., and Langevin C.D. User′s Guide to SEAWAT: A Computer Program for Simulation of Three-Dimensional Variable-Density Ground-Water Flow: Techniques of Water-Resources Investigations Book 6, Chapter A7 (2002) 77 pp.
18. Henderson, in progress, Density-dependent flow and reactive transport modeling of chlorinated solvent oxidation by permanganate, Ph.D.-Thesis, Dept. of Earth and Ocean Sciences, University of British Columbia, Vancouver, B.C., Canada.
19. Herbert A.W., Jackson C.P., and Lever D.A. Coupled groundwater flow and solute transport with fluid density strongly dependent upon concentration. Water Resour. Res. 24 (1988) 1781-1795
20. Honning J., Broholm M.M., and Bjerg P.L. Quantification of potassium permanganate consumption and PCE oxidation in subsurface materials. J. Contam. Hydrol. 90 (2007) 221-239
21. Hood, E.D., 2000. Permanganate Flushing of DNAPL Source Zones: Experimental and Numerical Investigation. Ph.D. Thesis, Department of Civil Engineering, University of Waterloo, Waterloo, Ontario.
22. Hood E.D., Thomson N.R., Grossi D., and Farquhar G.J. Experimental determination of the kinetic rate law for the oxidation of perchloroethylene by potassium permanganate. Chemosphere 40 (2000) 1383-1388
23. Huang K., Hoag G.E., Chheda B.A., and Dobbs G.M. Kinetic study of the oxidation of trichloroethene by potassium permanganate. Environ. Eng. Sci. 16 (1999) 265-274
24. Huang K., Hoag G.E., Chheda P., Woody B.A., and Dobbs G.M. Kinetics and mechanism of oxidation of tetrachloroethylene with permanganate. Chemosphere 46 (2002) 815-825
25. Ibaraki M., and Schwartz F. Influence of natural heterogeneity on the efficiency of chemical floods in sources zones. Ground Water 39 (2001) 660-668
26. Interstate Technology & Regulatory Council. Technical and Regulatory Guidance for In Situ Chemical Oxidation of Contaminated Soil and Groundwater. 2nd ed (2005). http://www.itrcweb.org/Documents/ISCO-2.pdf available for download at: http://www.itrcweb.org/Documents/ISCO-2.pdf
27. Kharaka Y., Gunter W., Aggarwal P., Perkins E., and Debraal J. SOLMINEQ.88: A computer program for geochemical modeling of water-rock interactions. U.S. Geol. Survey Report 88-4227 (1988)
28. Kim K., and Gurol M.D. Reaction of nonaqueous phase TCE with permanganate. Environ. Sci. Technol. 39 (2005) 9303-9308
29. Konikow L.F., Sanford W.E., and Campbell P.J. Constant-concentration boundary condition: lessons from the HYDROCOIN variable density groundwater benchmark problem. Water Resour. Res. 33 (1997) 2253-2261
30. Lee E.S., Seol Y., Fang Y.C., and Schwartz F.W. Destruction efficiencies and dynamics of reaction fronts associated with the permanganate oxidation of trichloroethylene. Environ. Sci. Technol. 37 (2003) 2540-2546
31. Lee E.S., Liu G., Schwartz F.W., Kim Y., and Ibaraki M. Model-based evaluation of controlled-release systems in the remediation of dissolved plumes in groundwater. Chemosphere 72 (2008) 165-173
32. Li X.D., and Schwartz F.W. Efficiency problems related to permanganate oxidation schemes. In: Wickamanayake G.B., Gavaskar A.R., and Chen A.S.C. (Eds). Chemical Oxidation and Reactive Barriers: Remediation of Chlorinated and Recalcitrant Compounds (2000), Battelle Press 41-48
33. Mao X., Prommer H., Barry D.A., Langevin C.D., Panteleit B., and Li L. Three-dimensional model for multi-component reactive transport with variable density groundwater flow. Environ. Model. Softw. 21 (2006) 615-628
34. MacKinnon L.K., and Thomson N.R. Laboratory-scale in situ chemical oxidation of a perchloroethylene pool using permanganate. J. Contam. Hydrol. 56 (2002) 49-74
35. Mayer K.U., Frind E.O., and Blowes D.W. Multicomponent reactive transport modeling in variably saturated porous media using a generalized formulation for kinetically controlled reactions. Water Resour. Res. 38 (2002) 1174 10:1029/2001WR000862
36. Miller C., Poirier-McNeill M., and Mayer A. Dissolution of trapped nonaqueous phase liquids: mass transfer characteristics. Water Resour. Res. 26 (1990) 2783-2796
37. Monnin C. Density calculations and concentration scale conversions for natural waters. Comput. Geosci. 20 (1994) 1435-1445
38. Moran M.J., Lapham W.W., Rowe B.L., and Zogorski J.S. Occurrence and status of volatile organic compounds in ground water from rural, untreated, self-supplied domestic wells in the United States, 1986-99. U.S. Geological Survey Water-Resources Investigations Report 02-4085 (2002)
39. Mumford K.G., Thomson N.R., and Allen-King R.M. Bench-scale investigation of permanganate natural oxidant demand kinetics. Environ. Sci. Technol. 39 (2005) 2835-2840
40. Nambi I.M., and Powers S.E. Mass transfer correlations for nonaqueous phase liquid dissolution from regions with high initial saturations. Water Resour. Res. 39 (2003) 1030 10.1029/2001WR000667
41. Nelson M.D., Parker B.L., and Cherry J.A. Passive destruction of PCE DNAPL by potassium permanganate in a sandy aquifer. Remediation of Chlorinated and Recalcitrant Compounds Conference, The Second International Conference, May 22-25, Monterey, California vol. C2, No. 6 (2000) 135-143
42. 4 in a sandy aquifer. Environ. Sci. Technol. 35 (2001) 1266-1275
43. Oldenburg C., and Pruess K. Dispersive transport dynamics in a strongly coupled groundwater-brine flow system. Water Resour. Res. 31 (1995) 289-302
44. Oostrom M., Dane J.H., Guven O., and Hayworth J.S. Experimental investigation of dense solute plumes in an unconfined aquifer model. Water Resour. Res. 28 (1992) 2315-2326
45. Pankow J.F., and Cherry J.A. Dense Chlorinated Solvents and Other DNAPLs in Groundwater (1996), Waterloo Press, Waterloo, Ontario, Canada 525pp.
46. Parker J.C., Lenhard R.J., and Kuppusamy T. A parametric model for constitutive properties governing multiphase flow in porous media. Water Resour. Res. 23 (1987) 618-624
47. Parker B.L., Cherry J.A., and Al T. Passive permanganate remediation of a solvent DNAPL source zone. In: Gavaskar A.R., and Chen A.S.C. (Eds). Remediation of Chlorinated and Recalcitrant Compounds-2002. CD Proceedings of the Third International Conference on Remediation of Chlorinated and Recalcitrant Compounds, May 20-23, Monterey, California, Paper 2C-05 (2002) 8 pp.
48. Parker B.L., Cherry J.A., Chapman S.W., and Guilbeault M.A. Review and analysis of chlorinated solvent dense non-aqueous phase liquid distributions in five sandy aquifers. Vadose Zone J. 2 (2003) 116-137
49. Parker B.L., Cherry J.A., and Chapman S.W. Field study of TCE diffusion profiles below DNAPL to assess aquitard integrity. J. Contam. Hydrol. 74 (2004) 197-230
50. Pitkin S.E., Cherry J.A., Ingleton R.A., and Broholm M. Field demonstrations using the Waterloo ground water profiler. Ground Water Monit. Rem. 19 (1999) 122-131
51. Post V.E.A., and Prommer H. Multicomponent reactive transport simulation of the Elder problem: effects of chemical reactions on salt plume development. Water Resour. Res. 43 (2007) W10404 10.1029/2006WR005630
52. Sanford W.E., and Konikow L.F. Simulation of calcite dissolution and porosity changes in saltwater mixing zones in coastal aquifers. Water Resour. Res. 25 (1989) 655-677
53. Schincariol R.A., and Schwartz F.W. An experimental investigation of variable density flow and mixing in homogeneous and heterogeneous media. Water Resour. Res. 26 (1990) 2317-2329
54. Schnarr M., Truax C., Farquhar G., Hood E., Gonullu T., and Stickney B. Laboratory and controlled field experiments using potassium permanganate to remediate trichloroethylene and perchloroethylene DNAPLs in porous media. J. Contam. Hydrol. 29 (1998) 205-224
55. Schroth M.H., Oostrom M., Wietsma T.W., and Istok J.D. In-situ oxidation of trichloroethene by permanganate: effects on porous medium hydraulic properties. J. Contam. Hydrol. 50 (2001) 79-98
56. Siegrist R.L., Urynowicz M.L., West O.R., Crimi M.L., and Lowe K.S. Principles and Practices of In Situ Chemical Oxidation Using Permanganate (2001), Battelle Press 348 pp.
57. Simmons C.T., Pierini M.L., and Hutson J.L. Laboratory investigation of variable density flow and solute transport in unsaturated-saturated porous media. Trans. Por. Med. 47 (2002) 215-244
58. Squillance P.J., Moran M.J., Lapham W.W., Price C.V., Clawges R.M., and Zogorski J.S. Volatile organic compounds in untreated groundwater of the United States, 1985-1995. Environ. Sci. Technol. 33 (1999) 4176-4187
59. Steefel C.I., and Lasaga A.C. A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems. Am. J. Sci. 294 (1994) 529-592
60. Stewart, C., 2002. Density-driven permanganate solution delivery and chemical oxidation of a thin trichloroethene DNAPL pool in a sandy aquifer. MSc Thesis, University of Waterloo, Waterloo, Ontario, Canada.
61. U.S. Environmental Protection Agency. A review of contaminant occurrence in public drinking water systems, Washington, D.C., Office of Water Quality, USEPA 816-R-99-006 (1999)
62. Urynowicz M.A., and Siegrist R.L. Interphase mass transfer during chemical oxidation of TCE DNAPL in an aqueous system. J. Contam. Hydrol. 80 (2005) 93-106
63. Voss C.I. A finite-element simulation model for saturated-unsaturated, fluid-density-dependent ground-water flow with energy transport or chemically-reactive single-species solute transport: U.S. Geological Survey Water-Resources Investigation Report 84-4369 (1984) 409 pp
64. Voss C.I., and Souza W.R. Variable density flow and solute transport simulation of regional aquifers containing a narrow freshwater-saltwater transition zone. Water Resour. Res. 23 (1987) 1851-1866
65. West O.R., Cline S.R., Holden W.L., Gardner F.G., Schlosser B.M., Tate J.E., and Pickering D.A. A full-scale demonstration of in situ chemical oxidation through recirculation at the X-701B site, Oak Ridge National Laboratory Environmental Sciences Division publication 4727 (1997)
66. West M.R., Grant G.P., Gerhard J.I., and Kueper B.H. The influence of precipitate formation on the chemical Oxidation of TCE DNAPL with potassium permanganate. Adv. Water Res. 31 (2007) 324-338
67. Yan Y.E., and Schwartz F.W. Oxidative degradation and kinetics of chlorinated ethylenes by potassium permanganate. J. Contam. Hydrol. 37 (1999) 343-365
68. Yan Y.E., and Schwartz F.W. Kinetics and mechanisms for TCE oxidation by permanganate. Environ. Sci. Technol. 34 (2000) 2535-2541
69. Zhang H., and Schwartz F.W. Simulating the in situ oxidative treatment of chlorinated ethylenes by potassium permanganate. Water Resour. Res. 36 (2000) 3031-3042
70. Zhang H., Schwartz F.W., Wood W.W., Garabedian S.P., and LeBlanc D.R. Simulation of variable-density flow and transport of reactive and nonreactive solutes during a tracer test at Cape Cod, Massachusetts. Water Resour. Res. 34 (1998) 67-82