ACS Publications. Most Trusted. Most Cited. Most Read
My Activity

Figure 1Loading Img

34S/32S Fractionation during Sulfate Reduction in Groundwater Treatment Systems: Reactive Transport Modeling

View Author Information
Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, Ontario, Canada
*Phone: (519)888-4567. Fax: (519)746-7484. E-mail: [email protected]
Cite this: Environ. Sci. Technol. 2011, 45, 7, 2863–2870
Publication Date (Web):February 28, 2011
Copyright © 2011 American Chemical Society

    Article Views





    Read OnlinePDF (1 MB)
    Supporting Info (1)»


    Abstract Image

    Isotope ratio measurements provide a tool for indicating the relative significance of biogeochemical reactions and for constraining estimates of the extent and rate of reactions in passive treatment systems. In this paper, the reactive transport model MIN3P is used to evaluate sulfur isotope fractionation in column experiments designed to simulate treatment of contaminated water by microbially mediated sulfate reduction occurring within organic carbon-based and iron and carbon-based permeable reactive barriers. A mass dependent fractionation model was used to determine reaction rates for 32S and 34S compounds during reduction, precipitation, and dissolution reactions and to track isotope-dependent mass transfer during SO4 removal. The δ34S values obtained from the MIN3P model were similar to those obtained from the Rayleigh equation, indicating that there was not a significant difference between the conceptual models. Differences between the MIN3P derived α value and the Rayleigh equation derived value were attributed to minor changes in the dissolution and precipitation rate of gypsum and mathematical differences in the fitting models. The results indicated that the prediction of δ34S was fairly insensitive to differences in the fractionation factor at the concentration ranges measured in the current study. However, more significant differences would be expected at low sulfate conditions.

    Supporting Information

    Jump To

    Derivations of eqs 15 and 16 . This material is available free of charge via the Internet at

    Terms & Conditions

    Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system:

    Cited By

    This article is cited by 32 publications.

    1. Huaming Guo, Yinzhu Zhou, Yongfeng Jia, Xiaohui Tang, Xiaofeng Li, Mengmeng Shen, Hai Lu, Shuangbao Han, Chao Wei, Stefan Norra, and Fucun Zhang . Sulfur Cycling-Related Biogeochemical Processes of Arsenic Mobilization in the Western Hetao Basin, China: Evidence from Multiple Isotope Approaches. Environmental Science & Technology 2016, 50 (23) , 12650-12659.
    2. Yiwei Cheng, Christopher G. Hubbard, Li Li, Nicholas Bouskill, Sergi Molins, Liange Zheng, Eric Sonnenthal, Mark E. Conrad, Anna Engelbrektson, John D. Coates, and Jonathan B. Ajo-Franklin . Reactive Transport Model of Sulfur Cycling as Impacted by Perchlorate and Nitrate Treatments. Environmental Science & Technology 2016, 50 (13) , 7010-7018.
    3. Julia H. Jamieson-Hanes, Richard T. Amos, David W. Blowes, and Carol J. Ptacek . Dual Mechanism Conceptual Model for Cr Isotope Fractionation during Reduction by Zerovalent Iron under Saturated Flow Conditions. Environmental Science & Technology 2015, 49 (9) , 5467-5475.
    4. Yan-Chun Zhang, Henning Prommer, Hans Peter Broers, Caroline P. Slomp, Janek Greskowiak, Bas van der Grift, and Philippe Van Cappellen . Model-Based Integration and Analysis of Biogeochemical and Isotopic Dynamics in a Nitrate-Polluted Pyritic Aquifer. Environmental Science & Technology 2013, 47 (18) , 10415-10422.
    5. Julia H. Jamieson-Hanes, Richard T. Amos, and David W. Blowes . Reactive Transport Modeling of Chromium Isotope Fractionation during Cr(VI) Reduction. Environmental Science & Technology 2012, 46 (24) , 13311-13316.
    6. Jennifer L. Druhan, Carl I. Steefel, Sergi Molins, Kenneth H. Williams, Mark E. Conrad, and Donald J. DePaolo . Timing the Onset of Sulfate Reduction over Multiple Subsurface Acetate Amendments by Measurement and Modeling of Sulfur Isotope Fractionation. Environmental Science & Technology 2012, 46 (16) , 8895-8902.
    7. E. H. Priebe, R. T. Amos, R. E. Jackson, D. L. Rudolph. Regional-scale reactive transport modelling of hydrogeochemical evolution in a karstic carbonate aquifer. Hydrogeology Journal 2023, 31 (2) , 435-452.
    8. Jennifer L. Druhan, Sophie Guillon, Manon Lincker, Bhavna Arora. Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study. Computational Geosciences 2021, 25 (4) , 1393-1403.
    9. Yiwei Cheng, Bhavna Arora, S. Sevinç Şengör, Jennifer L. Druhan, Christoph Wanner, Boris M. van Breukelen, Carl I. Steefel. Microbially mediated kinetic sulfur isotope fractionation: reactive transport modeling benchmark. Computational Geosciences 2021, 25 (4) , 1379-1391.
    10. Duk-Min Kim, Man-Sik Choi, Seong-Taek Yun, Sungmoon Yoon, Jin-Soo Lee. Spatial patterns of Zn, Cd, and Pb isotopic compositions of ground and surface water in mine areas of South Korea reflecting isotopic fractionation during metal attenuation. Science of The Total Environment 2021, 779 , 146453.
    11. Manon Lincker, Jennifer L. Druhan, Sophie Guillon, Vincent Lagneau. Thermodynamic and kinetic constants for isotopic fractionation modeling with or without major isotope hypothesis. Chemical Geology 2021, 569 , 120143.
    12. Andrew T. Craig, Alexi Shkarupin, Richard T. Amos, Matthew B.J. Lindsay, David W. Blowes, Carol J. Ptacek. Reactive transport modelling of porewater geochemistry and sulfur isotope fractionation in organic carbon amended mine tailings. Applied Geochemistry 2021, 127 , 104904.
    13. Hang Deng, Alexis Navarre-Sitchler, Elanor Heil, Catherine Peters. Addressing Water and Energy Challenges with Reactive Transport Modeling. Environmental Engineering Science 2021, 38 (3) , 109-114.
    14. Jennifer L. Druhan, Matthew J. Winnick, Martin Thullner. Stable Isotope Fractionation by Transport and Transformation. Reviews in Mineralogy and Geochemistry 2019, 85 (1) , 239-264.
    15. Simone Seibert, Carlos Descourvieres, Grzegorz Skrzypek, Hailin Deng, Henning Prommer. Model-based analysis of δ 34 S signatures to trace sedimentary pyrite oxidation during managed aquifer recharge in a heterogeneous aquifer. Journal of Hydrology 2017, 548 , 368-381.
    16. Li Li, Kate Maher, Alexis Navarre-Sitchler, Jenny Druhan, Christof Meile, Corey Lawrence, Joel Moore, Julia Perdrial, Pamela Sullivan, Aaron Thompson, Lixin Jin, Edward W. Bolton, Susan L. Brantley, William E. Dietrich, K. Ulrich Mayer, Carl I. Steefel, Albert Valocchi, John Zachara, Benjamin Kocar, Jennifer Mcintosh, Benjamin M. Tutolo, Mukesh Kumar, Eric Sonnenthal, Chen Bao, Joe Beisman. Expanding the role of reactive transport models in critical zone processes. Earth-Science Reviews 2017, 165 , 280-301.
    17. Christoph Wanner, Jennifer L. Druhan, Richard T. Amos, Peter Alt-Epping, Carl I. Steefel. Benchmarking the simulation of Cr isotope fractionation. Computational Geosciences 2015, 19 (3) , 497-521.
    18. C. I. Steefel, C. A. J. Appelo, B. Arora, D. Jacques, T. Kalbacher, O. Kolditz, V. Lagneau, P. C. Lichtner, K. U. Mayer, J. C. L. Meeussen, S. Molins, D. Moulton, H. Shao, J. Šimůnek, N. Spycher, S. B. Yabusaki, G. T. Yeh. Reactive transport codes for subsurface environmental simulation. Computational Geosciences 2015, 19 (3) , 445-478.
    19. Florian Einsiedl, Giovanni Pilloni, Bettina Ruth-Anneser, Tillman Lueders, Christian Griebler. Spatial distributions of sulphur species and sulphate-reducing bacteria provide insights into sulphur redox cycling and biodegradation hot-spots in a hydrocarbon-contaminated aquifer. Geochimica et Cosmochimica Acta 2015, 156 , 207-221.
    20. Zhi Guo, Guiqiu Chen, Guangming Zeng, Zhongwu Li, Anwei Chen, Jiajia Wang, Longbo Jiang. Fluorescence chemosensors for hydrogen sulfide detection in biological systems. The Analyst 2015, 140 (6) , 1772-1786.
    21. Zhi Guo, Guiqiu Chen, Guangming Zeng, Lingzhi Liu, Chang Zhang. Metal oxides and metal salt nanostructures for hydrogen sulfide sensing: mechanism and sensing performance. RSC Advances 2015, 5 (67) , 54793-54805.
    22. Diana Puigserver, Amparo Cortés, Manuel Viladevall, Xènia Nogueras, Beth L. Parker, José M. Carmona. Processes controlling the fate of chloroethenes emanating from DNAPL aged sources in river–aquifer contexts. Journal of Contaminant Hydrology 2014, 168 , 25-40.
    23. Yanxin Wang, Xianjun Xie, Thomas M. Johnson, Craig C. Lundstrom, Andre Ellis, Xiangli Wang, Mengyu Duan, Junxia Li. Coupled iron, sulfur and carbon isotope evidences for arsenic enrichment in groundwater. Journal of Hydrology 2014, 519 , 414-422.
    24. Julia H. Jamieson-Hanes, Adam M. Lentz, Richard T. Amos, Carol J. Ptacek, David W. Blowes. Examination of Cr(VI) treatment by zero-valent iron using in situ, real-time X-ray absorption spectroscopy and Cr isotope measurements. Geochimica et Cosmochimica Acta 2014, 142 , 299-313.
    25. Ziheng Miao, Concepcion Carreón-Diazconti, Kenneth C. Carroll, Mark L. Brusseau. The impact of biostimulation on the fate of sulfate and associated sulfur dynamics in groundwater. Journal of Contaminant Hydrology 2014, 164 , 240-250.
    26. S. Ursula Salmon, Andrew W. Rate, Zed Rengel, Steven Appleyard, Henning Prommer, Christoph Hinz. Reactive transport controls on sandy acid sulfate soils and impacts on shallow groundwater quality. Water Resources Research 2014, 50 (6) , 4924-4952.
    27. Jennifer L. Druhan, Carl I. Steefel, Mark E. Conrad, Donald J. DePaolo. A large column analog experiment of stable isotope variations during reactive transport: I. A comprehensive model of sulfur cycling and δ34S fractionation. Geochimica et Cosmochimica Acta 2014, 124 , 366-393.
    28. Christoph Wanner, Sonja Zink, Urs Eggenberger, Urs Mäder. Unraveling the partial failure of a permeable reactive barrier using a multi-tracer experiment and Cr isotope measurements. Applied Geochemistry 2013, 37 , 125-133.
    29. Paul B Hatzinger, JK Böhlke, Neil C Sturchio. Application of stable isotope ratio analysis for biodegradation monitoring in groundwater. Current Opinion in Biotechnology 2013, 24 (3) , 542-549.
    30. Natasha J. Sihota, K. Ulrich Mayer. Characterizing Vadose Zone Hydrocarbon Biodegradation Using Carbon Dioxide Effluxes, Isotopes, and Reactive Transport Modeling. Vadose Zone Journal 2012, 11 (4)
    31. Martin Novak, Petra Pacherova, Lucie Erbanova, Alain J. Veron, Frantisek Buzek, Ivana Jackova, Tomas Paces, Lenka Rukavickova, Vladimir Blaha, Jan Holecek. Using S and Pb isotope ratios to trace leaching of toxic substances from an acid-impacted industrial-waste landfill (Pozdatky, Czech Republic). Journal of Hazardous Materials 2012, 235-236 , 54-61.
    32. Christoph Wanner, Sonja Zink, Urs Eggenberger, Urs Mäder. Assessing the Cr(VI) reduction efficiency of a permeable reactive barrier using Cr isotope measurements and 2D reactive transport modeling. Journal of Contaminant Hydrology 2012, 131 (1-4) , 54-63.

    Pair your accounts.

    Export articles to Mendeley

    Get article recommendations from ACS based on references in your Mendeley library.

    Pair your accounts.

    Export articles to Mendeley

    Get article recommendations from ACS based on references in your Mendeley library.

    You’ve supercharged your research process with ACS and Mendeley!

    STEP 1:
    Click to create an ACS ID

    Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

    Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

    Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

    Your Mendeley pairing has expired. Please reconnect