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  • 1.
    Apul, Defne S.
    et al.
    Department of Civil Engineering, University of Toledo.
    Diaz, Maria E.
    Department of Chemical Engineering, University of Toledo.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Hundal, Lakhwinder S.
    Metropolitan Water Reclamation District of Greater Chicago, Research and Development Department, Section 123.
    Geochemical Modeling of Trace Element Release from Biosolids2010In: Environmental Engineering Science, ISSN 1092-8758, E-ISSN 1557-9018, Vol. 27, no 9, p. 743-755Article in journal (Refereed)
    Abstract [en]

    Biosolids-borne trace elements may be released to the environment when biosolids are used as fertilizers in farm land. Trace element leachate concentrations from biosolids are known to be limited by both organic and inorganic sorbent surfaces; this experimental evidence has not been previously verified with geochemical modeling of sorption reactions. In this study, pH-dependent leaching experiments and sorption isotherm experiments were coupled with a multisurface geochemical modeling approach. Biosolids samples were obtained from Toledo and Chicago wastewater treatment plants; their sorbent surfaces were defined and modeled as a combination of organic matter (OM) and Fe-, Al-, and Mn-oxides. The multisurface geochemical modeling approach was partially successful in predicting the pH-dependent leachate concentrations of As, Cd, Cr, Cu, Mo, Ni, and Zn. Both modeled and experimental data indicated that As and Mo in biosolids were bound to Fe- oxides; Cd, Cr, and Cu were bound mainly to OM; and as pH increased the fractions of Cd and Cu bound to Fe- oxides in the biosolids matrix increased. Ni and Zn were distributed between OM and Fe- oxides, and the percentage of each fraction depended on the pH. This study showed that the multisurface geochemical model could be used to generate As (and to a lesser extent Cd) Freundlich isotherm parameters for biosolids. However, the composition and reactivity of solid and dissolved OM was identified as a source of uncertainty in the modeling results. Therefore, more detailed studies focusing on the reactivity of isolated biosolids OM fractions with regard to proton and metal binding are needed to improve the capability of geochemical models to predict the fate of biosolids-borne trace metals in the environment.

  • 2. Baken, S.
    et al.
    Larsson, M. A.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630).
    Cubadda, F.
    Smolders, E.
    Ageing of vanadium in soils and consequences for bioavailability2012In: European Journal of Soil Science, ISSN 1351-0754, E-ISSN 1365-2389, Vol. 63, no 6, p. 839-847Article in journal (Refereed)
    Abstract [en]

    Total vanadium (V) concentrations in soils commonly range from 20 to 120 mg kg-1. Vanadium added directly to soils is more soluble than geogenic V and can be phytotoxic at doses within this range of background concentrations. However, it is unknown how slow sorption reactions change the fate and effect of added V in soils. This study addresses the changes in V solubility, toxicity and bioavailability in soils over time. Four soils were amended with pentavalent V in the form of a soluble vanadate salt, and extractable V concentrations were monitored over 100 days. The toxicity to barley and tomato plants was evaluated in freshly spiked soils and in the corresponding aged soils that were equilibrated for up to 330 days after spiking. The V concentrations in 0.01 m CaCl2 soil extracts decreased approximately two-fold between 14 and 100 days after soil spiking, and the reaction kinetics were similar for all soils. The phytotoxicity of added V decreased on average two-fold between freshly spiked and aged soils. The reduced toxicity was associated with a corresponding decrease in V concentrations in the isolated soil solutions and in the shoots. The V speciation in the soil solution of the aged soils was dominated by V(V); less than 8% was present as V(IV). Oxalate extractions suggest that the V(V) added to soils is predominantly sorbed onto poorly crystalline oxyhydroxides. It is concluded that the toxicity of V measured in freshly spiked soils may not be representative of soils subject to a long-term V contamination in the field.

  • 3.
    Baken, Stijn
    et al.
    KU Leuven, Belgium.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Smolders, Erik
    KU Leuven, Belgium.
    The association between iron and carbon in freshwater colloids2013Conference paper (Refereed)
    Abstract [en]

    Iron and carbon are important constituents of natural colloids, which intimately links the fate of these two elements in riverine systems. Iron may strongly affect the binding of trace metals by organic matter, e.g. through competition for binding sites, which highlights the importance of a correct appreciation of the Fe speciation in surface waters. However, the chemistry of Fe and C in natural colloids is complex and depend on many factors including the pH, the Fe:C ratio, and the redox speciation of Fe [1-3]. Two areas with a contrasting Fe chemistry were studied: a lowland area with widespread seepage of iron-rich groundwater, and an upland peat area. Samples of ten oxic, well-mixed streams were subjected to cascade filtration using conventional filtration (1.2 µm, 0.45 µm, 0.1 µm) and cross-flow ultrafiltration (CFF; 5 kDa). The colloidal fraction, here operationally defined as between 0.45 µm and 5 kDa, was isolated by CFF and subsequently freeze-dried. The speciation of colloidal Fe was determined by EXAFS spectroscopy at the Fe K-edge (MAX-lab, Lund, Sweden). In the rivers draining upland peat, Fe and C were predominantly recovered in the fraction between 5 kDa and 0.1 µm. Conversely, in the rivers draining the lowland with extensive seepage of iron-rich groundwater, Fe was most abundant in the > 0.1 µm fraction, whereas C was predominantly present < 0.1 µm. The EXAFS data reveal that colloidal Fe speciation is different in both study areas. It exists as mononuclear Fe complexed by dissolved organic matter, as colloidal hydrous ferric oxides (likely stabilized by adsorbed organic matter), or as a mixture of these. The colloidal Fe concentrations show considerable seasonal variability. Overall, this study contributes to a better understanding of colloidal Fe speciation and of its interaction with organic C.

  • 4. Baken, Stijn
    et al.
    Sjöstedt, Carin
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Seuntjens, Piet
    Desmet, Nele
    De Schutter, Jan
    Smolders, Erik
    Characterisation of hydrous ferric oxides derived from iron-rich groundwaters and their contribution to the suspended sediment of streams2013In: Applied Geochemistry, ISSN 0883-2927, E-ISSN 1872-9134, Vol. 39, p. 59-68Article in journal (Refereed)
    Abstract [en]

    When Fe(II) bearing groundwaters surface in streams, particulate authigenic Fe-rich material is produced by oxidation. Such freshly precipitated Fe minerals may be transported as suspended sediment and have a profound impact on the fate of trace metals and nutrients in rivers. The objective of this study was to monitor changes in mineralogy and composition of authigenic material from its source to streams of increasing order. Groundwaters, surface waters, and suspended sediment in streams of different order were sampled in the Kleine Nete catchment (Belgium), a lowland with Fe-rich groundwaters (3.5-53.8 mg Fe/L; pH 6.3-6.9). Fresh authigenic material (>0.45 mu m) was produced by oxidising filtered (<0.45 mu m) groundwater and surface water. This material contained, on average, 44% Fe, and smaller concentrations of C, P, and Ca. Iron EXAFS (Extended X-ray Absorption Fine Structure) spectroscopy showed that the Fe was present as poorly crystalline hydrous ferric oxides with a structure similar to that of ferrihydrite. The Fe concentration in the suspended sediment samples decreased to 36-40% (stream order 2), and further to 18-26% (stream order 4 and 5). Conversely, the concentrations of organic C, Ca, Si, and trace metals increased with increasing stream order, suggesting mixing of authigenic material with suspended sediment from a different source. The Fe speciation in the suspended sediment was similar to that in fresh authigenic material, but more Fe-Fe interactions were observed, i.e. it was increasingly hydrolysed, suggesting ageing reactions. The suspended sediment in the streams of order 4 and 5 is estimated to contain between 31% and 59% of authigenic material, but more data are needed to refine this estimate. The authigenic material is an important sink for P in these streams which may alleviate the eutrophication risk in this catchment.

  • 5. Berger, T.
    et al.
    Mathurin, F. A.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. Swedish University of Agricultural Sciences, Sweden.
    Peltola, P.
    Åström, M.E.
    The impact of fluoride on Al abundance and speciation in boreal streams2015In: Chemical Geology, ISSN 0009-2541, E-ISSN 1872-6836, Vol. 409, p. 118-124Article in journal (Refereed)
    Abstract [en]

    The impact of fluoride on the abundance and speciation of aluminium (Al) was investigated in three boreal streams characterised by overall high concentrations of fluoride and dissolved organic matter. Stream-water sampling was carried out several times a year for at least 4 years, and a chemical equilibrium model (Visual MINTEQ) was applied in order to model the proportion of colloidal and organically/inorganically complexed Al in the waters. The Al concentrations in filtered (0.45 μm) water samples were inversely correlated with pH, and reached values up to approximately 1. mg/L during low pH conditions (pH < 6.0). In a stream with high fluoride concentrations, as compared to a similar stream with only moderately elevated fluoride concentrations, the Al concentrations were consistently elevated. For the stream with high concentrations of fluoride and Al, the model predicted both high concentrations and proportions of Al-fluoride complexation. This prediction indicates that high fluoride levels contribute to raise both the Al abundance and the ratio of inorganic to organic Al complexation in stream water. In contrast, for another stream with high fluoride concentrations and consistently high (near neutral) pH, there was no evidence of fluoride affecting Al concentration or complexation. These results show that it is important to focus future studies on the role of high levels of dissolved fluoride on both the speciation and the toxicity of Al in stream water.

  • 6.
    Berggren Kleja, Dan
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering.
    Elert, Mark
    Kemakta Konsult AB.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering.
    Jarvis, las
    Markvetenskap, SLU.
    Norrström, Ann-Catrine
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering.
    Metallers mobilitet i mark2006Report (Refereed)
    Abstract [sv]

    I rapporten beskrivs nuvarande kunskapsläge när det gäller metallers uppträdande imark. Riskbedömningar för metaller i förorenad mark diskuteras.De flesta metaller binds i viss utsträckning i marken, oftast genom olika ytreaktioner med markens organiska material eller med järn- och aluminiumoxider, ochibland även genom utfällningsreaktioner. I vilken omfattning detta sker beror avfaktorer som t.ex. pH, redoxförhållanden, löst organiskt material (DOC) i markvattnet, samt förekomst av konkurrerande joner. Det är också viktigt att beaktavilka former metallerna förekommer som i markvattnet. Komplexbildning medt.ex. DOC minskar i regel toxiciteten. För att bättre ta hänsyn till markkemiskaförhållanden i riskbedömningen bör geokemiska modeller komma till ökad användning.Metaller lösta i vattnet följer med när vattnet strömmar och kan transporterastill grund- och ytvatten eller tas upp av växter. Hur snabbt detta går beror, förutomkemiska och biologiska processer, även på en rad olika jordegenskaper. Till exempel innehåller vissa jordar s.k. makroporer vilka ger upphov till preferentiellt flöde.Detta innebär att en del av metallerna snabbare kan transporteras genom marken,förbi jordpartiklar där metallerna annars skulle bindas.De olika modeller som används för att beskriva påverkan av markförorening pågrundvatten kan delas in i två grupper: stationära modeller antar att källtermen ärkonstant och tar enbart hänsyn till den utspädning som sker i grundvattnet. Exempel på sådana modeller är den svenska riktvärdesmodellen, JAGG och RBCA. I detvå senare modellerna finns möjlighet att ta hänsyn till nedbrytning av organiskaämnen. Tidsberoende modeller antar en avklingande källterm och en tidsberoendetransport i grundvattnet, exempelvis RISC och TAC-modellen. För beräkning avtransport i grundvattnet tas hänsyn till flödes- och fastläggningsmekanismer somadvektion, dispersion och linjär sorption.Med hjälp av laktester kan man uppskatta den andel av metallföroreningen somär löslig i vatten. Denna information kan sedan användas för att beräkna adsorptionsparametrar (Kd-värden, m.m.) för spridningsmodeller. Laktester kan ibland gemissvisande resultat eftersom de orsakar utspädning av provet, bl.a. blir DOCkoncentrationerna alltför låga. Dessutom bör de inte användas för sulfidjordar.Geokemiska modeller kan användas för att förbättra tolkningen av laktester för attfå till stånd realistiska uppskattningar av Kd-värden.Det finns ett antal spridningsmodeller som kan användas för att bedöma riskenför spridning till grundvatten och ytvatten. De är kraftfulla verktyg som dock ännuinte använts i någon större utsträckning i Sverige. Detta beror på flera orsaker, bl.a.de hydrogeologiska förhållandena i Sverige, behovet av anpassningen av de modeller som är allmänt tillgängliga, svårigheter att ta fram bra dataunderlag samt ensvag tradition i att använda modeller och förstå modellresultat.Ett par angelägna forsknings- och utvecklingsinsatser är att ta fram bättre uppskattningar av metalladsorption i svensk mark, och att anpassa existerande spridningsmodeller för användning i riskbedömningar.

  • 7.
    Biswas, Ashis
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Neidhardt, H.
    Karlsruhe Institute of Technology, Germany.
    Halder, Dipti
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Kundu, A.K.
    University of Kalyani, India.
    Chatterjee, Debashis
    University of Kalyani, India.
    Berner, Z.
    Karlsruhe Institute of Technology, Germany.
    Bhattacharya, Prosun
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Surface complexation modeling of temporal variability of arsenic in groundwater: Estimating the role of competing ions in the mobilization processes2013Conference paper (Refereed)
    Abstract [en]

    This study investigates the relative roles of different competing ions on the mobilization of arsenic (As) by surface complexation modeling of As rich groundwater in the aquifer of Bengal Basin. Two sets of piezometers, installed at different depths of the shallow aquifer (<50 m), have been monitored for As and other relevant hydrogeochemical parameters over a period of 20 months. The potentiality of two different surface complexation models (SCM), developed for ferrihydrite and goethite has been explored to account for the observed temporal variation in As(III) and As(V) concentration in groundwater. The SCM for ferrihydrite appears as the better predictor for the observed variation in both As(III) and As(V) concentration. It is estimated that among the competing ions PO43- is the major competitor of As(III) and As(V) adsorption into Fe oxyhydroxide and competing ability of the ions decreases as PO43- >> Fe(II) > H4SiO4 = HCO3-. The result of sensitivity test indicates that the competition of PO43- with As for the adsorption sites might already reach nearly to the stage of maxima. It is also shown that a slight increase or decrease in pH can have overwhelming effect on the mobility of As(III) and As(V) by changing their concentration oppositely. It appears that only the reductive dissolution of Fe oxyhydroxide cannot explain the observed high As concentration in the groundwater of Bengal Basin. In absence of potential competition for the adsorption sites, As released due to reductive dissolution of Fe oxyhydroxide would have been re-adsorbed into the residual Fe phases. This study suggests that the reductive dissolution of Fe oxyhydroxide followed by competitive ion exchange with the aquifer sediment is the processes conducive for As enrichment in groundwater of the sedimentary aquifers.

  • 8.
    Biswas, Ashis
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Neidhardt, Harald
    Halder, Dipti
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Kundu, Amit K.
    Chatterjee, Debashis
    Berner, Zsolt
    Bhattacharya, Prosun
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Role of competing ions in the mobilization of arsenic in groundwater of Bengal Basin: Insight from surface complexation modeling2014In: Water Research, ISSN 0043-1354, E-ISSN 1879-2448, Vol. 55, p. 30-39Article in journal (Refereed)
    Abstract [en]

    This study assesses the role of competing ions in the mobilization of arsenic (As) by surface complexation modeling of the temporal variability of As in groundwater. The potential use of two different surface complexation models (SCMs), developed for ferrihydrite and goethite, has been explored to account for the temporal variation of As(III) and As(V) concentration, monitored in shallow groundwater of Bengal Basin over a period of 20 months. The SCM for ferrihydrite appears as the better predictor of the observed variation in both As(III) and As(V) concentrations in the study sites. It is estimated that among the competing ions, PO43- is the major competitor of As(III) and As(V) adsorption onto Fe oxyhydroxide, and the competition ability decreases in the order PO43- >> Fe(II) > H4SiO4 = HCO- (3.) It is further revealed that a small change in pH can also have a significant effect on the mobility of As(III) and As(V) in the aquifers. A decrease in pH increases the concentration of As(III), whereas it decreases the As(V) concentration and vice versa. The present study suggests that the reductive dissolution of Fe oxyhydroxide alone cannot explain the observed high As concentration in groundwater of the Bengal Basin. This study supports the view that the reductive dissolution of Fe oxyhydroxide followed by competitive sorption reactions with the aquifer sediment is the processes responsible for As enrichment in groundwater.

  • 9.
    Biswas, Ashis
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Neidhardt, Harald
    Halder, Dipti
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Kundu, Amit K.
    Chatterjee, Debashis
    Berner, Zsolt
    Bhattacharya, Prosun
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Role of competing ions on the mobilization of arsenic in groundwater of sedimentary aquifers: insight from surface complexation modelingManuscript (preprint) (Other academic)
  • 10.
    Biswas, Ashis
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. University of Kalyani.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. Swedish University of Agricultural Sciences.
    Neidhardt, Harald
    Karlsruhe Institute of Technology, Germany.
    Halder, Dipti
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. University of Kalyani.
    Kundu, Amit Kumar
    University of Kalyani, India.
    Chatterjee, Debashis
    University of Kalyani, India.
    Berner, Zsolt
    Karlsruhe Institute of Technology, Germany.
    Bhattacharya, Prosun
    University of Kalyani.
    Estimating the role of competing ions on the arsenic mobilization processes in the aquifers of Bengal Basin by surface complexation modeling2013Conference paper (Refereed)
    Abstract [en]

    This study investigates the relative roles of the different competing ions on the arsenic (As) mobilization in the sedimentary aquifers of Bengal basin by surface complexation modeling of the temporal varaibility of As in shallow (<50 m) groundwater. Two sets of piezometers (2×5 = 10), installed at the two sites with relatively contrasting dissolved As concentration in groundwater, were monitored bi-weekly for As and other hydrogeochemical parameters over a period of 20 months. The estimation of the standard deviation (SD) for As(III) reflects strong temporal variation (SD ≥10 μg/L) in all the piezometers of two sites over the monitoring period. Particularly, the variation is more prominent in the shallowest part of the aquifer, where the site specific cyclic trends are evident. While, As(V) shows significant temporal variation in the piezometers of high As site only and no specific trend is reflected in the variation.

    Two different surface complexation models (SCMs), developed for ferrihydrite and goethite have been explored to account for the observed temporal variation in As(III) and As(V) concentrations. The SCM for ferrihydrite has provided the better estimation for both As(III) and As(V) variations.

    Among the different competing ions, PO43- appears as the major competitor of As(III) and As(V) adsorption onto ferrihydrite and the competition ability decreases in the order PO43- >> Fe(II) > H4SiO4 = HCO3-. It is further revealed that a small decrease in pH significantly increases the concentration of As(III) and decreases the As(V) concentration and vice versa. The present study suggests that the reductive dissolution of Fe oxyhydroxides alone cannot explain the observed high As concentration in groundwater of the sedimentary aquifers. Perhaps, the reductive dissolution of Fe oxyhydroxides followed by competitive sorption reactions with the aquifer sediment is the processes conducive for As enrichment in the groundwater of Bengal basin.

  • 11. Campos Pereira, H.
    et al.
    Ullberg, M.
    Kleja, D. B.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering. Swedish University of Agricultural Sciences, Sweden.
    Ahrens, L.
    Sorption of perfluoroalkyl substances (PFASs) to an organic soil horizon – Effect of cation composition and pH2018In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 207, p. 183-191Article in journal (Refereed)
    Abstract [en]

    Accurate prediction of the sorption of perfluoroalkyl substances (PFASs) in soils is essential for environmental risk assessment. We investigated the effect of solution pH and calculated soil organic matter (SOM) net charge on the sorption of 14 PFASs onto an organic soil as a function of pH and added concentrations of Al3+, Ca2+ and Na+. Often, the organic C-normalized partitioning coefficients (KOC) showed a negative relationship to both pH (Δlog KOC/ΔpH = −0.32 ± 0.11 log units) and the SOM bulk net negative charge (Δlog KOC = −1.41 ± 0.40 per log unit molc g−1). Moreover, perfluorosulfonic acids (PFSAs) sorbed more strongly than perfluorocarboxylic acids (PFCAs) and the PFAS sorption increased with increasing perfluorocarbon chain length with 0.60 and 0.83 log KOC units per CF2 moiety for C3–C10 PFCAs and C4, C6, and C8 PFSAs, respectively. The effects of cation treatment and SOM bulk net charge were evident for many PFASs with low to moderate sorption (C5–C8 PFCAs and C6 PFSA). However for the most strongly sorbing and most long-chained PFASs (C9–C11 and C13 PFCAs, C8 PFSA and perfluorooctane sulfonamide (FOSA)), smaller effects of cations were seen, and instead sorption was more strongly related to the pH value. This suggests that the most long-chained PFASs, similar to other hydrophobic organic compounds, are preferentially sorbed to the highly condensed domains of the humin fraction, while shorter-chained PFASs are bound to a larger extent to humic and fulvic acid, where cation effects are significant.

  • 12. Eriksson, Ann Kristin
    et al.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. Swedish University of Agricultural Sciences, Sweden.
    Hesterberg, Dean
    Phosphorus speciation of clay fractions from long-term fertility experiments in Sweden2015In: Geoderma, ISSN 0016-7061, E-ISSN 1872-6259, Vol. 241, p. 68-74Article in journal (Refereed)
    Abstract [en]

    Phosphorus (P) losses from agricultural soils constitute a main driver for eutrophication of the Baltic Sea. There is limited knowledge about sorption and release processes of P in these soils, especially concerning the effects of fertilization. In this study, P speciation of the clay fractions from six different soils in long-term fertility experiments in Sweden was investigated by P K-edge XANES spectroscopy. As expected, unfertilized soils had lower concentrations of acid-digestible P compared with fertilized soils. Based on best-fit standards that emerged from linear combination fitting (LCF) of XANES spectra, phosphate sorbed on iron (Fe) (hydr)oxides was a dominant P species in clay fractions from unfertilized soils containing more than 35 mmol kg(-1) of oxalate-extractable Fe. In contrast, P sorbed on aluminum (Al) (hydr)oxides predominated in soils with lower concentrations of oxalate-extractable Fe. A greater proportion of organically bound P was fit for soil samples containing >2% organic carbon. The soils included one calcareous soil for which a greater proportion of P was fit as apatite. After long-term fertilization, P had accumulated mainly as P adsorbed to Al (hydr) oxides according to the XANES analysis. Our research shows that P speciation in fertilized agricultural soils depended on the level of P buildup and on the soil properties.

  • 13. Eriksson, Ann Kristin
    et al.
    Hesterberg, Dean
    Klysubun, Wantana
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. SLU, Sweden.
    Phosphorus dynamics in Swedish agricultural soils as influenced by fertilization and mineralogical properties: Insights gained from batch experiments and XANES spectroscopy2016In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 566, p. 1410-1419Article in journal (Refereed)
    Abstract [en]

    The soil chemistry of phosphorus (P) is important for understanding the processes governing plant availability as well as the risk of environmental losses of P. The objective of this research was to investigate both the speciation and the pH-dependent solubility patterns of P in clayey agricultural soils in relation to soil mineralogy and fertilization history. The study focused on soil samples from six fields that were subjected to different P fertilization regimes for periods of 45 to 57 years. Soil P speciation was analyzed by P K-edge XANES spectroscopy and chemical fractionation, sorption isotherms were constructed, and dissolved P was measured as a function of pH. The XANES fitting results showed that organic P and P adsorbed to Fe and Al (hydr) oxides were common P constituents in all soils. Calciumphosphateswere identified in five of six soil samples. The XANES results also indicated an increase in P adsorbed to Al and to a lesser extent Fe (hydr) oxides as a result of fertilization. Moreover, the fluorescence intensity from the P K-edge XANES analysis was most strongly correlated with HCl-digestible P (r = 0.81***). Consistent with the XANES analysis, laboratory sorption isotherm models showed that the Freundlich sorption coefficient (K-F) was most closely related to oxalate-extractable Al. Greater proportions of Ca phosphate in two of the heavily fertilized soils in combination with enhanced PO4 solubilization upon sample acidification indicated neoformation of Ca-phosphate precipitates. The results for the unfertilized soil samples generally showed a minimum in dissolved PO4 between pH 6.5 and 7.5, with increases particularly at lower pH. This behavior can be explained either by the dissolution of Al-hydroxide-type sorbents or Ca phosphates at lower pH. In fertilized soils, there was no consistent trend in pH-dependent solubilization of P, with a complex relationship to solid-phase speciation. To conclude, inorganic P species changed most dynamically in agricultural clay soils over a period of several decades, and the role of pH in the solubilization of P depended mainly on P fertilization history and the content of reactive Ca phosphates.

  • 14. Eriksson, Ann Kristin
    et al.
    Hillier, Stephen
    Hesterberg, Dean
    Klysubun, Wantana
    Ulén, Barbro
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. Swedish University of Agricultural Sciences, Sweden.
    Evolution of phosphorus speciation with depth in an agricultural soil profile2016In: Geoderma, ISSN 0016-7061, E-ISSN 1872-6259, Vol. 280, p. 29-37Article in journal (Refereed)
    Abstract [en]

    With time, different soil-forming processes such as weathering, plant growth, accumulation of organic matter, and cultivation are likely to affect phosphorus (P) speciation. In this study, the depth distribution of P species was investigated for an agricultural clay soil, Lanna, Sweden. Small amounts of apatite-P was demonstrated in the topsoil whereas the speciation of Pat 70-100 cm depth consisted of approximately 86% apatite according to P K-edge XANES (X-ray absorption near-edge structure) spectroscopy. Because there were only minor differences in bulk mineralogy and texture, these variations in P speciation were interpreted as the result of apatite weathering of the topsoil. Speciation modeling on soil extracts supported this idea: hydroxyapatite was not thermodynamically stable in the top 50 cm of the soil. Apatite was enriched in the bulk soil relative to the clay fraction, as expected during apatite dissolution. Combined results from batch experiments, XANES spectroscopy and X-ray diffraction suggested chemical transformations of the topsoil as a result from accumulation of organic matter and airing from tillage followed by enhanced weathering of apatite, amphiboles, clay minerals, and iron oxides. This caused the formation of poorly crystalline secondary iron and aluminum (hydr)oxides in the topsoil, which retained part of the released P from apatite. Other P was incorporated into organic forms. Furthermore, the results also showed that short-term acidification below the current pH value (below 5.5 in the topsoil and 7.2 in the deeper subsoil) caused significant solubilization of P. This is attributed to two different mechanisms: the instability of Al-containing sorbents (e.g. Al hydroxides) at low pH (in the topsoil), and the acid-mediated dissolution of apatite (the subsoil).

  • 15.
    Eveborn, David
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology. KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. JTI - Swedish Institute of Agricultural and Environmental Engineering, Sweden .
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology. KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. Department of Soil and Environment, Swedish University of Agricultural Sciences, Sweden.
    Elmefors, Elin
    JTI,Swedish Institute of Agricultural and Environmental Engineering.
    Yu, Lin
    Center for Environmental and Climate Research (CEC), Lund University.
    Eriksson, Ann-Kristin
    Department of Soil and Environment, Swedish University of Agricultural Sciences.
    Ljung, Emelie
    JTI,Swedish Institute of Agricultural and Environmental Engineering.
    Renman, Gunno
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Phosphorus in soil treatment systems: accumulation and mobility2014In: Water Research, ISSN 0043-1354, E-ISSN 1879-2448, Vol. 64, p. 42-52Article in journal (Refereed)
    Abstract [en]

    In several western countries, septic tanks with subsequent soil treatment systems (STS) are a common treatment technique for domestic wastewater in rural areas. However the suitability of STS (especially relatively close to surface waters) can be questioned since the discharge of phosphorus (P) from such effluents is not well known. In this study, six STS in Sweden (11 to 28 years old) were investigated by means of batch and column experiments on samples taken from the unsaturated subsoil beneath the distribution pipes. At all sites the wastewater had clearly influenced the soil. This was observed through decreased pH, increased amounts of oxalate extractable metals and altered P sorption properties. The amount of accumulated P in the STS (defined as the amount of total P in the STS samples minus the amount of total P in unused soil samples) were found to be between 0.32 and 0.87 kg m-3, which in most cases was just a small fraction of the estimated P load (< 30%). Column studies revealed that remarkably high P concentrations (up to 6 mg L-1) were leached from the material when deionized water was applied. However, the response to deionized water varied between the sites. The affinity for P in the soils was well correlated to the amount of oxalate-extractable aluminium (as evidenced by a strong relationship between oxalate-extractable Al and oxalate-extractable P) and generally soils with high content of oxalate extractable Al was also less vulnerable to P leakage.

  • 16.
    Eveborn, David
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Hesterberg, Dean
    University Raleigh, Department of Soil Science, North Carolina, USA.
    Hillier, Stephen
    Macaulay Institute, Craigiebuckler, Aberdeen, UK.
    XANES Speciation of P in Environmental Samples: An Assessment of Filter Media for on-Site Wastewater Treatment2009In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 43, no 17, p. 6515-6521Article in journal (Refereed)
    Abstract [en]

    X-ray absorption near edge structure (XANES) spectroscopyis a useful technique for characterization of chemical speciesof phosphorus in complex environmental samples. To developand evaluate bed filters as sustainable on-site wastewater treatment solutions, our objective in this study was to determine the chemical forms of accumulated phosphorus in a selectionof promising filter materials: Filtralite P, Filtra P, Polonite, Absol, blast furnace slag, and wollastonite. Full-scale operational wastewater-treatment systems were sampled and in addition, filter samples collected from laboratory studies provided access to additional media and complementary samples.Phosphorus species were characterized using phosphorus K-edge XANES spectroscopy, complemented by X-ray powder diffraction (XRPD) and attenuated total reflectance Fouriertransform infrared spectroscopy (ATR-FTIR). No systematic differences could be seen in the results between laboratory and full-scale samples. All six filter media contained significant amounts of crystalline calcium phosphates. Some samples also contained amorphous calcium phosphate (>60 % of totalP in Absol). In Filtralite P and blast furnace slag, more than 35 % of the accumulated phosphorus was associated with Fe or Al. Both the power and shortcomings of XANES analysis for characterizing P species in these filter media are discussed.

  • 17.
    Eveborn, David
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering, Environmental Geochemistry and Ecotechnology.
    Kong, Deguo
    Department of Applied Environmental Science, Stockholm University, Sweden.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering, Environmental Geochemistry and Ecotechnology.
    Wastewater treatment by soil infiltration: Long-term phosphorus removal2012In: Journal of Contaminant Hydrology, ISSN 0169-7722, E-ISSN 1873-6009, Vol. 140, p. 24-33Article in journal (Refereed)
    Abstract [en]

    Phosphorus (P) leaching from on-site wastewater treatment systems may contribute to eutrophication. In developed countries the most common on-site treatment technique is septic systems with soil infiltration. However, the current knowledge about long term P removal in soil treatment systems is not well developed and the data used for estimation of P losses from such systems are unreliable. In this study we sampled four filter beds from community-scale soil treatment systems with an age of between 14 and 22 years to determine the long-term P removal and to investigate the chemical mechanisms behind the observed removal. For one site the long-term P removal was calculated using a mass balance approach. After analysis of the accumulated P. it was estimated that on average 12% of the long-term P load had been removed by the bed material. This indicates a low overall capacity of soil treatment systems to remove phosphorus. Batch experiments and chemical speciation modelling indicated that calcium phosphate precipitation was not an important long-term P removal mechanism, with the possible exception of one of the sites. More likely, the P removal was induced by AlPO4 precipitation and/or sorption to poorly ordered aluminium compounds, as evidenced by strong relationships between oxalate-extractable Al and P.

  • 18.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering, Environmental Geochemistry and Ecotechnology.
    Arsenate adsorption to soils: Modelling the competition from humic substances2006In: Geoderma, ISSN 0016-7061, E-ISSN 1872-6259, Vol. 136, no 02-jan, p. 320-330Article in journal (Refereed)
    Abstract [en]

    There is currently no agreement to what extent humic substances may compete with arsenate and other anions for oxide adsorption sites in soils, and how to model this interaction. In this study, batch experiments were made in which the competition between fulvic acid and arsenate was studied in a spodic Bs horizon. Additional experiments were performed in which the pH and concentration dependence of arsenate adsorption was studied in four soils. The results showed that fulvic acid decreased the adsorption of AsO4, probably because of competition effects. The K-d value of AsO4 adsorption to the four studied soils differed by three orders of magnitude at pH 5. The introduction of an irreversibly sorbed component RO- into the Three-Plane CD-MUSIC model, and the optimisation of RO- using the K-d of AsO4 for one sample from each data set, permitted the use of the model to predict AsO4 adsorption under different conditions. On the whole, the predictions were reasonably close to measured values, but the model failed in 3 of 4 soils at high surface coverage. A strong relationship between the optimised RO- value and the observed pyrophosphate-extractable C value supported the assumption that RO- can be considered as being an adsorbed humic functional group. The large concentrations of RO- compared to those of adsorbed PO4 and SO4 suggest that humic substances may be the most important competitors for anion adsorption sites in many soils.

  • 19.
    Gustafsson, Jon Petter
    KTH, Superseded Departments, Land and Water Resources Engineering.
    Modeling the acid-base properties and metal complexation of humic substances with the Stockholm Humic Model2001In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 244, no 1, p. 102-112Article in journal (Refereed)
    Abstract [en]

    To describe the binding of protons and metals to humic substances, the Stockholm Humic Model (SHM) has been developed. The model employs a discrete-site approach similar to that of Model V/VI, although it has another electrostatic submodel, based on the Basic Stern concept. An empirical set of equations has been introduced to account for the extra screening of charge inside the gel-like structures of the humic substances. Six adjustable parameters are needed to describe proton binding to humic or fulvic acids. To simulate metal binding, equilibrium constants are defined for mono- and bidentate coordination and an extra parameter, Delta LK2, accounts for binding-site heterogeneity. It is shown that the SHM appears to be able to describe proton binding well; the quality of the fits is similar to those obtained by Model V/VI and the NICA-Donnan model. The SHM was capable of correctly describing metal binding and competitive interactions over a wide range of conditions, although the model performance was not very convincing concerning the ionic strength dependence of metal binding and stepwise proton-metal exchange stoichiometries.

  • 20.
    Gustafsson, Jon Petter
    KTH, Superseded Departments, Land and Water Resources Engineering.
    Modelling competitive anion adsorption on oxide minerals and an allophane-containing soil2001In: European Journal of Soil Science, ISSN 1351-0754, E-ISSN 1365-2389, Vol. 52, no 4, p. 639-653Article in journal (Refereed)
    Abstract [en]

    Can surface complexation constants for anions, drawn from the literature for reference oxides, be combined to describe competitive adsorption in a spodic B horizon sample containing the important adsorbent minerals proto-imogolite allophane and ferrihydrite? To answer this and to derive complexation constants for the corresponding reference oxides, a CD-MUSIC model was used, with arsenate as the sorbing ion. To minimize the interference from competing organic substances, a sample containing little organic matter was used. To describe the adsorption of added arsenate correctly, it was found that competitive interactions from sulphate, silicic acid and phosphate had to be considered. In the model, the specific surface area of singly coordinated AlOH groups of allophane, the sulphate surface complexation constant on allophane, and the total concentration of reactive silicic acid were fitted. All other parameters were fixed using reference oxide values. The results indicated that arsenate, phosphate and silicic acid formed stronger surface complexes on ferrihydrite than on gibbsite or allophane, whereas the reverse was true for sulphate. I conclude that the approach used should provide significant qualitative information on the competitive adsorptive interactions in soils. However, the approach may be impractical for routine simulations and predictions. This is partly due to the uncertainty of the assumption that the properties of allophane and ferrihydrite in real soils can be approximated by those of gibbsite and ferrihydrite synthesized in the laboratory. Another difficulty is that the adsorption of arsenate and phosphate might not reach equilibrium within the limited time of most experiments.

  • 21.
    Gustafsson, Jon Petter
    KTH, Superseded Departments, Land and Water Resources Engineering.
    Modelling molybdate and tungstate adsorption to ferrihydrite2003In: Chemical Geology, ISSN 0009-2541, E-ISSN 1872-6836, Vol. 200, no 02-jan, p. 105-115Article in journal (Refereed)
    Abstract [en]

    The environmental geochemistry of molybdenum and tungsten is not well known. To enable predictions of Mo and W concentrations in the presence of ferrihydrite (hydrous ferric oxide), batch equilibrations were made with MoO42-, WO42-, o-phosphate (PO43-) and freshly prepared ferrihydrite suspensions in 0.01 M NaNO3 in the pH range from 3 to 10 at 25°C. The results showed that WO42- is adsorbed more strongly than MoO42- , and that both ions are able to displace PO43- from adsorption sites at low pH. Two models, the Diffuse Layer Model (DLM) and the CD-MUSIC Model (CDM), were tested in an effort to describe the data. In both models, the adsorption of MoO42- and WO42- could be described with the use of two monodentate complexes. One of these was a fully protonated complex, equivalent to adsorbed molybdic or tungstic acid, which was required to fit the data at low pH. This was found to be the case also for a data set with goethite. In competitive systems with PO43- , the models did not always provide satisfactory predictions. It was suggested this may be partly due to the uncertainty in the PO43- complexation constants.

  • 22.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Soil chemical behaviour of cadmium pigments from paints2013Report (Other academic)
    Abstract [en]

    A review focusing on the thermodynamic stability and dissolution rates of Cd-containing sulphides and selenides from paints is presented. In the surface horizon of Swedish agricultural soils, cadmium sulphide, CdS(s), and cadmium selenide, CdSe(s), are shown to be thermodynamically unstable. The presence of electron acceptors such as oxygen gas and iron(III) will lead to gradual dissolution of these compounds. The dissolution rate of Cd-containing sulphides is dependent on the amount of crystalline zinc sulphide in contact with the cadmium, as zinc will be dissolved preferentially from a mixed cadmium zinc sulphide mineral. In the absence of crystalline zinc sulphide, Cd will be dissolved completely after 1-3 years. The presence of crystalline zinc sulphide can extend the life span of CdS to 1-2 decades; however, sewage sludge contains mostly amorphous ZnS that will dissolve more quickly. In conclusion, if a time frame of several decades is applied, it is very likely that Cd from Cd pigments has a similar solubility and bioavailability as an easily soluble Cd salt such as cadmium chloride.

  • 23.
    Gustafsson, Jon Petter
    KTH, Superseded Departments, Land and Water Resources Engineering.
    The surface chemistry of imogolite2001In: Clays and clay minerals, ISSN 0009-8604, E-ISSN 1552-8367, Vol. 49, no 1, p. 73-80Article in journal (Refereed)
    Abstract [en]

    Imogolite is a tubular aluminosilicate which is common in Andosols and Spodosols. The high pH at point-of-zero charge at the outer parts of the tube and the anomalously high chloride adsorption of imogolite suggested that there may be structural charge associated with this mineral. The structural charge may arise because of changes in bond valence imposed by the incorporation of orthosilicate anions in a gibbsite-type sheet. By using a Basic Stem Model approach, it is shown that the surface charge properties of imogolite are explained if the mean Al-O bond valence of the outer -Al2OH groups is higher than the inner -Al2OHSiO3 groups. Hence, a weak positive charge is developed on the outer tube walls whereas a negative charge develops in the tubular pores. The best model fits were obtained where either one or two units of structural charge per unit cell of tube were assumed. The model may also explain why imogolite tubes are normally aggregated in large bundles in close hexagonal packing, because bound counterions may hold the tubes together. However, to arrive at good model descriptions, the deprotonation of -Al2OH groups must occur at a higher pH than that expected when assuming that all surface oxygens form two hydrogen bridges with H2O. A more precise structure of imogolite is required to test fully this hypothesis.

  • 24.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. Swedish University of Agricultural Sciences, Sweden.
    Akram, Muhammad
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Tiberg, Charlotta
    Predicting sulphate adsorption/desorption in forest soils: Evaluation of an extended Freundlich equation2015In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 119, p. 83-89Article in journal (Refereed)
    Abstract [en]

    Sulphate adsorption and desorption can delay the response in soil acidity against changes in acid input. Here we evaluate the use of an extended Freundlich equation for predictions of pH-dependent SO4 adsorption and desorption in low-ionic strength soil systems. Five B horizons from Spodosols were subjected to batch equilibrations at low ionic strength at different pHs and dissolved SO4 concentrations. The proton coadsorption stoichiometry (eta), i.e. the number of H+ ions co-adsorbed for every adsorbed SO42- ion, was close to 2 in four of five soils. This enabled the use of a Freundlich equation that involved only two adjustable parameters (the Freundlich coefficient K-F and the non-ideality parameter m). With this model a satisfactory fit was obtained when only two data points were used for calibration. The root-mean square errors of log adsorbed SO4 ranged from 0.006 to 0.052. The model improves the possibility to consider SO4 adsorption/desorption processes correctly in dynamic soil chemistry models.

  • 25.
    Gustafsson, Jon Petter
    et al.
    KTH, Superseded Departments, Land and Water Resources Engineering.
    Berggren, D.
    Simonsson, M.
    Zysset, M.
    Mulder, J.
    Aluminium solubility mechanisms in moderately acid Bs horizons of podzolized soils2001In: European Journal of Soil Science, ISSN 1351-0754, E-ISSN 1365-2389, Vol. 52, no 4, p. 655-665Article in journal (Refereed)
    Abstract [en]

    The processes controlling the retention and release of aluminium in acid forest soils are still subject to controversy, and therefore a universal hypothesis as to what mechanisms are operating has not been firmly established. By studying the Bs horizons of Swedish and Swiss podzolized soils, and by analysing data in the literature, we have found that aluminium hydroxide, and in some cases also poorly ordered imogolite, may control Al solubility in moderately acid (pH>4.2-4.3) Bs horizons. The strongest evidence in support of the presence of a quickly reacting Al(OH)(3) pool came from the temperature dependence of Al solubility in a Bs horizon, which was consistent with the reaction enthalpy of an Al(OH)3 phase such as gibbsite, and from the observation that the eon activity product for Al(OH)3 was the same regardless of whether equilibrium was reached from over- or undersaturation. The pool of Al(OH)3 is commonly small and may be completely dissolved after large additions of acid. This may be explained by the continuing redissolution of reactive Al(OH)(3) to form less soluble imogolite-type phases. By using the same methods it was found that soil suspensions did not reach equilibrium with poorly ordered imogolite even after 17 days. Thus, imogolite probably does not control Al solubility in the short term in many soils despite the common occurrence of this mineral. This is due to the relatively slow kinetics of imogolite formation and dissolution, especially at low temperatures and at small solution H4SiO4 concentrations.

  • 26.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Bhattacharya, Prosun
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Geochemical modelling of arsenic adsorption to oxide surfaces2007In: Arsenic in soil and groundwater environment: Biogeochemical Interactions, Health Effects and Remediation / [ed] Bhattacharya, P., Mukherjee, A.B., Bundschuh, J., Zevenhoven, R., Loeppert, R.H., Elsevier, 2007, p. 159-206Chapter in book (Refereed)
    Abstract [en]

    In natural environments, arsenic chemistry is dominated by the reactions of its two predominant soluble forms, arsenate and arsenite. To predict the fate of As in the environment, it is necessary to consider processes that act to restrict its mobility. The mobility of As is strongly influenced by adsorption reactions to particle surfaces. Arsenate and arsenite may form surface complexes with a number of different oxides, including Fe-, Al-, Mn- and Ti oxides. The focus of this chapter is on the adsorption of As(III) and As(V) to the surfaces of oxides, in particular Fe oxides. We have analysed the existing data for arsenite and arsenate adsorption to ferrihydrite and goethite. Spectroscopic results show that arsenate forms bidentate binuclear complexes under all conditions; for arsenite, evidence has been found both for a bidentate binuclear complex and for a weaker outer-sphere complex, which may be of some importance at low ionic strength. We optimized As adsorption parameters for two surface complexation models, the diffuse double-layer model (DLM) and the three-plane CD-MUSIC model (TPCD), taking into account the spectroscopic evidence. For arsenate adsorption to ferrihydrite, the new DLM constants imply stronger binding than the previous compilation by Dzombak and Morel (1990), whereas for arsenite the revised DLM constants are in reasonable agreement. The surface complexation models could not be optimized satisfactorily for data sets in which the dissolved arsenite concentration at equilibrium was larger than 10 mM; the reasons for this are discussed. Simulations of competition effects show that o-phosphate competes strongly with arsenate over the whole pH range. Silicic acid and carbonate are important competitors in the circumneutral pH range, while sulphate may have a small competitive effect at low pH. Humic substances are important competitors when a large part of the Fe oxides is covered with humic substances. By contrast, calcium promotes arsenate adsorption at alkaline pH because of surface charge effects.

  • 27.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Dässman, Ellinor
    Swedish University of Agricultural Sciences.
    Bäckström, Mattias
    Örebro University.
    Towards a consistent geochemical model for prediction of uranium(VI) removal from groundwater by ferrihydrite2009In: Applied Geochemistry, ISSN 0883-2927, E-ISSN 1872-9134, Vol. 24, no 3, p. 454-462Article in journal (Refereed)
    Abstract [en]

    Uranium(VI), which is often elevated in granitoidic groundwaters, is known to adsorb strongly to Fe (hydr)oxides under certain conditions. This process can be used in water treatment to remove U(VI). To develop a consistent geochemical model for U(VI) adsorption to ferrihydrite, batch experiments were performed and previous data sets reviewed to optimize a set of surface complexation constants using the 3-plane CD-MUSIC model. To consider the effect of dissolved organic matter (DOM) on U(VI) speciation, new parameters for the Stockholm Humic Model (SHM) were optimized using previously published data. The model, which was constrained from available X-ray absorption fine structure (EXAFS) spectroscopy evidence, fitted the data well when the surface sites were divided into low- and high-affinity binding sites. Application of the model concept to other published data sets revealed differences in the reactivity of different ferrihydrites towards U(VI). Use of the optimized SHM parameters for U(VI)-DOM complexation showed that this process is important for U(VI) speciation at low pH. However in neutral to alkaline waters with substantial carbonate present, Ca-U-CO3 complexes predominate. The calibrated geochemical model was used to simulate U(VI) adsorption to ferrihydrite for a hypothetical groundwater in the presence of several competitive ions. The results showed that U(VI) adsorption was strong between pH 5 and 8. Also near the calcite saturation limit, where U(VI) adsorption was weakest according to the model, the adsorption percentage was predicted to be >80%. Hence U(VI) adsorption to ferrihydrite-containing sorbents may be used as a method to bring down U(VI) concentrations to acceptable levels in groundwater.

  • 28.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering, Environmental Geochemistry and Ecotechnology.
    Kleja, D. B.
    Modeling salt-dependent proton binding by organic soils with the MICA-Donnan and Stockholm Humic models2005In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 39, no 14, p. 5372-5377Article in journal (Refereed)
    Abstract [en]

    Models are available for simulations of proton dissociation and cation binding by natural organic matter; two examples are the NICA-Donnan and Stockholm Humic (SHM) models. To model proton and metal binding, it is necessary to properly account for the ionic strength dependence of proton dissociation. In previous applications of the models for soils it was assumed that the electrostatic interactions for solid-phase humic substances were the same as in solution;this assumption was recently challenged. Therefore, we reanalyzed previously published acid-base titrations of acid-washed Sphagnum peat, and we produced additional data sets for two Sphagnum peats and two Spodosol Oe horizons. For the soil suspensions, the original NICA-Donnan and SHM models, which were developed for dissolved humic substances, underestimated the observed salt dependence considerably. When a fixed Donnan volume of 1 L kg(-1) for humic substances in the solid phase was used, the NICA-Donnan model fits were much improved. Also for SHM, slight changes produced improved model fits. The models also produced acceptable simulations of the dissolved Ca, Mg, and Cd concentrations, provided that cation selectivity was introduced. In conclusion, the proposed extensions to the NICA-Donnan and SHM models were shown to predict the salt dependence of solid-phase humic substances more satisfactorily than earlier model versions.

  • 29.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Lumsdon, David G.
    James Hutton Institute, Aberdeen, UK.
    Comment on "Citrate adsorption can decrease soluble phosphate concentration in soils: Results of theoretical modelling'' by Marek Duputel, Nicolas Devau, Michel Brossard, Benoit Jaillard, Davey L. Jones, Philippe Hinsinger and Frederic Gerard (2013)2014In: Applied Geochemistry, ISSN 0883-2927, E-ISSN 1872-9134, Vol. 46, p. 85-89Article in journal (Refereed)
    Abstract [en]

    By use of a multi-site surface complexation model, Duputel et al. (2013) showed that citrate can decrease the solubility of phosphorus in soils, in contrast to what is commonly expected. We have identified several major errors in their model, which put the conclusions in doubt. We argue that major re-evaluation of their modelling approach is needed.

  • 30.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630).
    Mwamila, Luhuvilo B.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630).
    Kergoat, Kevin
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630).
    The pH dependence of phosphate sorption and desorption in Swedish agricultural soils2012In: Geoderma, ISSN 0016-7061, E-ISSN 1872-6259, Vol. 189, p. 304-311Article in journal (Refereed)
    Abstract [en]

    A number of previous studies have reported the existence of a minimum in phosphate solubility between pH 5.5 and 7 in non-calcareous soils. Different hypotheses have been forwarded to explain this phenomenon. In this study, ten soil samples with varying textures and phosphorus status were subjected to batch experiments in which dissolved phosphate was measured as a function of pH and phosphate load. Soil samples with more than 20% clay all had a minimum phosphate solubility between pH 6 and 7, whereas for samples with <10% clay, no such minimum was observed. Further experiments involving additions of phosphate and arsenate showed an increasing adsorption of these anions with decreasing pH also below pH 6 in clay soils, suggesting that the pH dependence on adsorption and desorption in short-term experiments was not the same. Kinetic experiments showed that the increased phosphate desorption at lower pH values in non-calcareous clay soils was a quick process, which is consistent with adsorption/desorption being the most important mechanism governing the retention and release of inorganic P. Moreover, by comparing extraction results with batch experiment results for samples from a long-term fertility experiment, it was concluded that more than 60% of the accumulated phosphate was occluded, i.e. not reactive within 6 days. Additional evidence for an important role of occluded phosphate comes from an analysis of the Freundlich sorption isotherms for the studied soils. It is hypothesized that interlayered hydroxy-Al and hydroxy-Fe polymers in clay minerals may be important for P dynamics in clay soils by trapping some of the P in an occluded form. The results also suggest that improved knowledge on the speciation and dynamics of phosphorus in soils is required for consistent mechanistically based modeling of phosphate sorption/desorption reactions.

  • 31.
    Gustafsson, Jon Petter
    et al.
    Swedish University of Agricultural Sciences, Uppsala.
    Oromieh, Aidin Geranmayeh
    Swedish University of Agricultural Sciences, Uppsala.
    Sjöstedt, Carin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Persson, Ingmar
    Sveriges Lantbruksuniversitet.
    Berggren Kleja, Dan
    Swedish Geotechnical Institute, Stockholm, Sweden.
    Chromium (III) and bismuth (III) complexation to organic matter: EXAFS Spectroscopy and equilibrium modeling2013In: Mineralogical magazine, ISSN 0026-461X, E-ISSN 1471-8022, Vol. 77, no 5, p. 1235-Article in journal (Refereed)
    Abstract [en]

    The complexation of chromium(III) and bismuth(III) to organic matter was investigated by batch equilibrations with Suwannee River Fulvic Acid (SRFA) and with mor layer material (Risbergshöjden Oe). In the SRFA systems, 3 mM chromium(III) solutions were equilibrated with 9 g L-1 SRFA and equilibrated at different pH values ranging from 2 to 6. Characterization of the reaction products was made at MAX-Lab, Lund, Sweden, using Cr K-edge EXAFS spectroscopy at 5 989 eV. The spectra were interpreted using both conventional data treatment using EXAFSPAK and with wavelet transform (WT) analysis. The results show that chromium(III) formed monomeric organic complexes with SRFA. There was no evidence of polymerization with the exception of the particulate phase at pH 6, which was attributed to a limited extent of Cr(OH)3 formation.

    The mor layer material was equilibrated with chromium(III) and bismuth(III) solutions as a function of pH, time and competing ions (iron(III), aluminium(III), copper(II)). Again Cr

    K-edge and Bi L3-edge EXAFS spectroscopy was used, at 5 989 and 13 419 eV. The experiments showed a predominance of monomeric organic complexes for chromium(III). The sorption of chromium(III) was pH-dependent and to some extent found to be influenced by competition from aluminium(III) and copper(II). Chromium(III) complexation was found to be very slow at pH < 4, and equilibration times of three months or longer were required to reach equilibrium under these conditions. Concerning bismuth(III), complexation was quicker and found to be very strong, with more than 94 % bound at pH 1.2 at a high bismuth(III) loading. EXAFS spectroscopy showed that two complexes were involved, one monomeric and one di- or trimeric, with the latter being predominant at higher pH values, although it was present already at pH 1.2. In the organic bismuth(III) complexes, the bismuth(III) octahedron was found to be strongly distorted, which implies strong binding to organic acid functional groups. The complexation of bismuth(III) remained essentially unchanged even in the presence of a potent competitor such as iron(III).

    The results from the spectroscopic investigation and from the quantitative solution data were used to calibrate new and improved complexation models for the Stockholm Humic (SHM) and the NICA-Donnan models. In the case of the Stockholm Humic Model, both complexes as found by EXAFS spectroscopy were considered explicitly; this ensured the model to predict minimum competition effects in agreement with the laboratory results.

  • 32.
    Gustafsson, Jon Petter
    et al.
    KTH, Superseded Departments, Land and Water Resources Engineering.
    Pechova, P.
    Berggren, D.
    Modeling metal binding to soils: The role of natural organic matter2003In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 37, no 12, p. 2767-2774Article in journal (Refereed)
    Abstract [en]

    The use of mechanistically based models to simulate the solution concentrations of heavy metals in soils is complicated by the presence of different sorbents that may bind metals. In this study, the binding of Zn, Pb, Cu, and Cd by 14 different Swedish soil samples was investigated. For 10 of the soils, it was found that the Stockholm Humic Model (SHM) was able to describe the acid-base characteristics, when using the concentrations of active humic substances and Al as fitting parameters. Two additional soils could be modeled when ion exchange to clay was also considered, using a component additivity approach. For dissolved Zn, Cd, Ca, and Mg reasonable model fits were produced when the metal-humic complexation parameters were identical for the 12 soils modeled. However, poor fits were obtained for Pb and Cu in Aquept B horizons. In two of the soil suspensions, the Lund A and Romfartuna Bhs, the calculated speciation agreed well with results obtained by using cation-exchange membranes. The results suggest that organic matter is an important sorbent for metals in many surface horizons of soils in temperate and boreal climates, and the necessity of properly accounting for the competition from Al in simulations of dissolved metal concentrations is stressed.

  • 33.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Persson, I.
    Oromieh, A. G.
    Van Schaik, J. W. J.
    Sjöstedt, Carin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Kleja, D. B.
    Chromium(III) complexation to natural organic matter: Mechanisms and modeling2014In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 48, no 3, p. 1753-1761Article in journal (Refereed)
    Abstract [en]

    Chromium is a common soil contaminant, and it often exists as chromium(III). However, limited information exists on the coordination chemistry and stability of chromium(III) complexes with natural organic matter (NOM). Here, the complexation of chromium(III) to mor layer material and to Suwannee River Fulvic Acid (SRFA) was investigated using EXAFS spectroscopy and batch experiments. The EXAFS results showed a predominance of monomeric chromium(III)-NOM complexes at low pH (<5), in which only Cr··C and Cr-O-C interactions were observed in the second coordination shell. At pH > 5 there were polynuclear chromium(III)-NOM complexes with Cr···Cr interactions at 2.98 Å and for SRFA also at 3.57 Å, indicating the presence of dimers (soil) and tetramers (SRFA). The complexation of chromium(III) to NOM was intermediate between that of iron(III) and aluminum(III). Chromium(III) complexation was slow at pH < 4: three months or longer were required to reach equilibrium. The results were used to constrain chromium-NOM complexation in the Stockholm Humic Model (SHM): a monomeric complex dominated at pH < 5, whereas a dimeric complex dominated at higher pH. The optimized constant for the monomeric chromium(III) complex was in between those of the iron(III) and aluminum(III) NOM complexes. Our study suggests that chromium(III)-NOM complexes are important for chromium speciation in many environments.

  • 34.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering, Environmental Geochemistry and Ecotechnology.
    Persson, Ingmar
    Kleja, Dan Berggren
    Van Schaik, Joris W. J.
    Binding of iron(III) to organic soils: EXAFS spectroscopy and chemical equilibrium modeling2007In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 41, no 4, p. 1232-1237Article in journal (Refereed)
    Abstract [en]

    The complexation of iron(III) to soil organic matter is important for the binding of trace metals in natural environments because of competition effects. In this study, we used extended X-ray absorption fine structure (EXAFS) spectroscopy to characterize the binding mode for iron(III) in two soil samples from organic mor layers, one of which was also treated with iron(III). In most cases the EXAFS spectra had three significant contributions, inner-core Fe-O/N interactions at about 2.02(2) A, Fe-C interactions in the second scattering shell at 3.00(4) A, and a mean Fe-Fe distance at 3.37(3) A. One untreated sample showed features typical for iron (hydr)oxides; however, after treatment of iron(III) the EXAFS spectrum was dominated by organically complexed iron. The presence of a Fe-Fe distance in all samples showed that the major part of the organically complexed iron was hydrolyzed, most likely in a mixture of complexes with an inner core of (O5Fe)(2)O and (O5Fe)(3)O. These results were used to constrain a model for metal-humic complexation, the Stockholm Humic Model (SHM). The model was able to describe iron(III) binding very well at low pH considering only one dimeric iron(III)-humic complex. The competition effect on trace metals was also well described.

  • 35.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Renman, Agnieszka
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630).
    Renman, Gunno
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630).
    Poll, Katarina
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630).
    Phosphate removal by mineral-based sorbents used in filters for small-scale wastewater treatment2008In: Water Research, ISSN 0043-1354, E-ISSN 1879-2448, Vol. 42, no 1-2, p. 189-197Article in journal (Refereed)
    Abstract [en]

    The mineral-based sorbents Filtra P, Polonite (R), natural wollastonite and water-cooled blast furnace slag (WCBFS) were studied in terms of their PO4 removal performance. Results from a long-term column experiment showed that both Filtra P and Polonite (R) removed > 95% of PO4 from the applied synthetic solution, and that the used filter materials had accumulated several (1.9-19) g kg(-1) P. Phosphorus was removed also by natural wollastonite and WCBFS, but these materials were less efficient. Batch experiments on the used materials showed that the solubility PO4 was considerably larger than the one expected for crystalline Ca phosphates such as hydroxyapatite, and results from investigations with attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) on the Filtra P material showed that the formed P phase was not crystalline. These evidence suggest that a soluble amorphous tricalcium phosphate (ATCP) was formed in the mineral-based sorbents; the apparent solubility constant on dissolution was estimated to log K-s = -27.94 ( 0.31) at 21 degrees C. However, since only up to 18% of the accumulated PO4 was readily dissolved in the experiments, it cannot be excluded that part of the phosphorus had crystallized to slightly less soluble phases. In conclusion, Filtra P and Polonite are two promising mineral-based sorbents for phosphorus removal, and at least part of the accumulated phosphorus is present in a soluble form, readily available to plants.

  • 36.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Tiberg, Charlotta
    SLU.
    Fosfors betydelse för metallers mobilitet i mark2013Report (Other academic)
    Abstract [en]

    The aim with this project was to investigate the role of dissolved phosphate for the adsorption of lead(II), copper(II), cadmium(II) and uranium(VI) onto ferrihydrite and to soils. The methods involved batch studies, EXAFS spectroscopy, and equilibrium modelling. Phosphate was found to significantly enhance the adsorption of all investigated metals onto ferrihydrite. Results obtained so far show that the results are consistent with the formation of ternary surface complexes at low pH, but additional research is required to understand the processes in more detail. Similar enhancements were not observed in soil samples to which phosphate is added, and the reasons for this remain to be fully elucidated. In any case, this research shows that the presence of phosphate may restrict the mobility of many trace metals in environments that contain iron(III) (hydr)oxides.

  • 37.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Tiberg, Charlotta
    Molybdenum binding to soil constituents in acid soils: An XAS and modelling study2015In: Chemical Geology, ISSN 0009-2541, E-ISSN 1872-6836, Vol. 417, p. 279-288Article in journal (Refereed)
    Abstract [en]

    Despite its importance as a trace element, the binding mechanisms of molybdenum in soils are not well known. In this study, we studied the binding of molybdenum onto selected soil samples, and we used X-ray absorption spectroscopy (XAS) to characterize the coordination of molybdenum on three important environmental sorbents: ferrihydrite (Fh), amorphous aluminium hydroxide (Al(OH)(3)) and fulvic acid. The X-ray near-edge structure (XANES) data showed that the added molybdenum(VI) was not reduced, although for the organic samples the coordination shifted from tetrahedral to octahedral. The EXAFS (extended X-ray absorption fine structure) analysis showed that molybdenum(VI) on Fh and Al(OH)(3) was dominated by edge-sharing bidentate complexes with Mo center dot center dot center dot Fe and Mo center dot center dot center dot Al distances of 2.80 and 2.62 angstrom, respectively. For ferrihydrite, there was a minor contribution from a corner-sharing bidentate complex at 3.55 angstrom. Further, geochemical modelling suggested an additional role of an outer-sphere complex at high pH. A sample from a spodic Bs horizon had XANES and EXAFS features similar to those of Mo sorbed to Al(OH)(3), highlighting the importance of Al(OH)(3)-type sorbents in this soil. However, in the studied organic samples molybdenum(VI) was present in a distorted octahedral configuration as an organic complex. The results were used to improve molybdenum binding reaction equilibrium constants in the CD-MUSIC model for ferrihydrite and in the Stockholm Humic Model. Collectively the results show that acid soils may contain sorbents able to bind molybdenum efficiently, and thus prevent its leaching to waters.

  • 38.
    Gustafsson, Jon Petter
    et al.
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Tiberg, Charlotta
    Swedish University of Agricultural Sciences.
    Edkymish, Abubaker
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630).
    Kleja, Dan Berggren
    Swedish Geotechnical Institute.
    Modelling lead(II) sorption to ferrihydrite and soil organic matter2011In: Environmental Chemistry, ISSN 1448-2517, E-ISSN 1449-8979, Vol. 8, no 5, p. 485-492Article in journal (Refereed)
    Abstract [en]

    Lead(II) adsorption to soil organic matter and iron (hydr)oxides is strong, and may control the geochemical behaviour of this metal. Here, we report the adsorption of Pb(2+) (i) to 2-line ferrihydrite, and (ii) to a mor layer. The results showed that ferrihydrite has heterogeneous Pb(2+) binding. Use of a surface complexation model indicated that similar to 1% of the surface sites adsorbed Pb(2+) more strongly than the remaining 99 %. Although only one surface complexation reaction was used (a bidentate complex of the composition (equivalent to FeOH)(2)Pb(+)), three classes of sites with different affinity for Pb(2+) were needed to simulate Pb(2+) binding correctly over all Pb/Fe ratios analysed. For the mor layer, Pb(2+) sorption was much stronger than current models for organic complexation suggest. The results could be described by the Stockholm Humic Model when the binding heterogeneity was increased, and when it was assumed that 0.2% of the binding sites were specific for Pb. Use of revised model parameters for nine Vietnamese soils suggest that lead(II) binding was more correctly simulated than before. Thus, underestimation of lead(II) sorption to both (hydr) oxide surfaces and organic matter may explain the failure of previous geochemical modelling attempts for lead(II).

  • 39.
    Gustafsson, Jon Petter
    et al.
    KTH, Superseded Departments, Land and Water Resources Engineering.
    van Hees, P.
    Starr, M.
    Karltun, E.
    Lundstrom, U.
    Partitioning of base cations and sulphate between solid and dissolved phases in three podzolised forest soils2000In: Geoderma, ISSN 0016-7061, E-ISSN 1872-6259, Vol. 94, no 04-feb, p. 311-333Article in journal (Refereed)
    Abstract [en]

    The cation and SO, adsorption properties of O and B horizons of three podzolised soils in Sweden and Finland were studied through analysing the soil solution at six different sampling occasions and through a set of batch experiments. High concentrations of dissolved organic carbon and cations were found in centrifuged soil solutions from the O horizon, especially during autumn. An analysis using the WHAM-S model suggested that most of the dissolved Ca, Mg, K and Mn were counter-ions, residing in the diffuse layers of dissolved fulvic acids. Hence, the solubility of these cations depended on the solubility of organic matter. Model exercises suggested that the solubility of humics in turn was influenced by seasonal differences in hydrophobicity and by the water content. Furthermore, the model results showed that only a low proportion of the B horizon organic matter was involved in calcium binding. This is probably due to the interaction between organic matter and oxide surfaces in this horizon. In the case of sulphate adsorption in the B horizons, a surface complexation model was tested for its ability to describe batch experiment data and temporal differences in soil water chemistry. This model was based on the diffuse-layer model and it was optimised by adjusting the surface site concentration and the point of zero charge. However. the interaction between Ca2+ and SO42- could not be modelled. Comparisons between the model and the field observations proved to be difficult due to a considerable soil heterogeneity.

  • 40.
    Gustafsson, Jon Petter
    et al.
    KTH, Superseded Departments, Land and Water Resources Engineering.
    van Schaik, J. W. J.
    Cation binding in a mor layer: batch experiments and modelling2003In: European Journal of Soil Science, ISSN 1351-0754, E-ISSN 1365-2389, Vol. 54, no 2, p. 295-310Article in journal (Refereed)
    Abstract [en]

    The understanding of cation binding in the mor layer is important to correctly assess the biogeochemical cycling of metals and other cations in forested ecosystems. In a series of batch experiments, the binding of cations was examined in two mor layers from central Sweden. We examined the effect of Ca and Al on the binding of Zn, and also the binding of added Pb, Cu and Cd. Two models, WinHumicV and the Stockholm Humic Model (SHM), were tested for their ability to describe the data obtained. We found that for Zn, the pH at 50% sorption was increased from 2.8 to 4.2 after the addition of 3 mM Al. The proton titration data were well described by both WinHumicV and SHM after optimization of the concentrations of 'active' Al and humic substances. Applying generic parameters for cation binding produced deviations between the model simulations and the observations, particularly for the dissolved Pb and Cu concentrations, which were underestimated. A revised set of cation complexation constants was presented that improved the fit, particularly for SHM. For WinHumicV, there were still poor overall fits. The difference in model performance may be due to the greater number of adjustable parameters in the SHM, but probably also to other model-specific differences. According to the SHM simulations, the binding of Ca, Mg and Mn was mainly non-specific, whereas Pb, Cu and Al were bound as mono- or bidentate complexes. For Zn and Cd, binding occurred through both counter-ion accumulation and monodentate complexation.

  • 41.
    Gustafsson, Jon-Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering, Environmental Geochemistry and Ecotechnology.
    Modelling metal sorption in soil2009In: Modelling of pollutants in complex environmental systems / [ed] Grady Hanrahan, St Albans: ILM Publications , 2009, 1, , p. 145-176Chapter in book (Refereed)
  • 42. Herrmann, I.
    et al.
    Jourak, A.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. Department of Soil and Environment, Swedish University of Agricultural Sciences, Uppsala, Sweden.
    Hedström, A.
    Lundström, T. S.
    Viklander, M.
    Modeling phosphate transport and removal in a compact bed filled with a mineral-based sorbent for domestic wastewater treatment2013In: Journal of Contaminant Hydrology, ISSN 0169-7722, E-ISSN 1873-6009, Vol. 154, p. 70-77Article in journal (Refereed)
    Abstract [en]

    Phosphorus filter units containing mineral-based sorbents with a high phosphate (PO4) binding capacity have been shown to be appropriate for removing PO4 in the treatment of domestic wastewater in on-site facilities. However, a better understanding of their PO4 removal mechanisms, and reactions that could lead to the formation of PO4 compounds, is required to evaluate the potential utility of candidate sorbents. Models based on data obtained from laboratory-scale experiments with columns of selected materials can be valuable for acquiring such understanding. Thus, in this study the transport and removal of PO4 in experiments with a laboratory-scale column filled with a commercial silicate-based sorbent were modeled, using the hydro-geochemical transport code PHREEQC. The resulting models, that incorporated the dissolution of calcite, kinetic constrains for the dissolution of calcium oxide (CaO) and wollastonite (CaSiO3), and the precipitation of amorphous tricalcium phosphate, Ca3(PO 4)2, successfully simulated the removal of PO4 observed in the experiments.

  • 43. Hoppe, Sabina
    et al.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Borg, Hans
    Breitholtz, Magnus
    Can natural levels of Al influence Cu speciation and toxicity to Daphnia magna in a Swedish soft water lake?2015In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 138, p. 205-210Article in journal (Refereed)
    Abstract [en]

    It is well known that chemical parameters, such as natural organic matter (NOM), cation content and pH may influence speciation and toxicity of metals in freshwaters. Advanced bioavailability models, e.g. Biotic Ligand Models (BLMs), can use these and other chemical parameters to calculate site specific recommendations for metals in the aquatic environment. However, since Al is not an input parameter in the BLM v.2.2.3, used in this study, there could be a discrepancy between calculated and measured results in Al rich waters. The aim of this study was to evaluate if the presence of Al in a circumneutral (pH 6) soft humic freshwater, Lake St. Envättern, will affect the Cu speciation and thereby the toxicity to the cladoceran Daphnia magna. The results show a statistically significant increase in the free Cu2+ concentration with Al additions and that measured levels of Cu2+ significantly differed from BLM calculated levels of Cu2+. Furthermore, there was also a statistically significant elevated acute toxic response to D. magna at low additions of Al (10μg/L). However, since the large difference between calculated and measured Cu2+ resulted in a significant but minor (factor of 2.3) difference between calculated and measured toxicity, further studies should be conducted in Al rich soft waters to evaluate the importance of adding Al as an input parameter into the BLM software.

  • 44.
    Hoppe, Sabina
    et al.
    Stockholms Universitet.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering.
    Borg, Hans
    Stockholms Universitet.
    Breitholtz, Magnus
    Stockholms Universitet.
    Evaluation of current copper bioavailability tools for soft freshwaters in Sweden2015In: Ecotoxicology and Environmental Safety, ISSN 0147-6513, E-ISSN 1090-2414, Vol. 114, p. 143-149Article in journal (Refereed)
    Abstract [en]

    The Water Framework Directive (WFD) in Europe calls for an improved aquatic ecological status. Biotic ligand models (BLM) have been suggested as a possible tool assisting in the regulatory process. The aim of this study was therefore to investigate the applicability of BLM under the WFD to set environmental quality standards (EQS), in particular regarding copper in Swedish freshwaters of which many are softer than those used for model calibration. Three different BLMs, one acute and two chronic, were applied to water chemistry data from 926 lakes and 51 rivers (1530 data entries) and evaluated with respect to their calibration range for input parameters. In addition, the predicted no-effect concentration (PNEC) for copper was calculated. From the 1530 data entries, 750 ended up outside of the BLM calibration range, when looking at the chemical parameters Ca2+, alkalinity, pH and DOC, primarily due to low carbonate alkalinity. Furthermore, the calculated Cu PNECs were higher than the suggested Swedish limit for Cu (4 µg L−1) in surface waters for 98% and 99% of the cases concerning lakes and rivers, respectively. To conclude, our findings show that water chemical characteristics outside of the calibration ranges are quite common in Sweden and that the investigated models differ in how they calculate toxicity concerning Cu under these conditions. As a consequence, additional work is required to validate the BLMs by use of bioassays with representative species of soft waters. Such results will show if these models can be used outside of their calibration ranges and also which of the models that gives the most reliable results.

  • 45. Johansson, L.
    et al.
    Gustafsson, Jon Petter
    KTH, Superseded Departments, Land and Water Resources Engineering.
    Phosphate removal using blast furnace slags and opoka-mechanisms2000In: Water Research, ISSN 0043-1354, E-ISSN 1879-2448, Vol. 34, no 1, p. 259-265Article in journal (Refereed)
    Abstract [en]

    The abiotic sorption efficiency of on-site wastewater treatment systems can be improved by using a strongly sorbing filter material that, if it retains phosphorus (P) in a plant available way, can be used as fertiliser when P saturation is achieved. Two materials, blast furnace slag and the siliceous sedimentary rock opoka, have shown a high P sorption capacity and were included in a set of experiments to investigate the P retention mechanisms from model P-solution. Experiments focusing on the P sorption, capacity and calcium (Ca) and PO4 determination were carried out. The pH was also measured. The P sorption experiment showed that some slags were efficient P retainers, while the opoka was the least efficient P retainer. The pH decreased in all samples as a function of P addition. In the slag samples, the Ca concentration also decreased as a function of P addition, suggesting Ca-P precipitation as the major P removal mechanism for the slag. The Ca and PO4 speciation data ruled out the formation of amorphous calcium phosphates and/or octacalcium phosphate as the major P removal mechanism. However, the calculated ion activity products displayed clear evidence that hydroxyapatite had precipitated above a certain critical supersaturation limit. This would explain the poor P retention efficiency of the opoka samples in this study as the ion activity products were too low. The finding that direct hydroxyapatite formation is the predominant P removal mechanism might have important implications for their possible use as fertiliser due to the poor solubility of hydroxyapatite.

  • 46. Karltun, E.
    et al.
    Bain, D. C.
    Gustafsson, Jon Petter
    KTH, Superseded Departments, Land and Water Resources Engineering.
    Mannerkoski, H.
    Murad, E.
    Wagner, U.
    Fraser, A. R.
    McHardy, W. J.
    Starr, M.
    Surface reactivity of poorly-ordered minerals in podzol B horizons2000In: Geoderma, ISSN 0016-7061, E-ISSN 1872-6259, Vol. 94, no 04-feb, p. 265-288Article in journal (Refereed)
    Abstract [en]

    The surface reactivity of mineral soil horizons from three podzolised forest soils in Scandinavia was examined. The amount of accumulated C was low, between 1.8 and 2.3% in the top of the B horizons. Selective extractions in combination with infrared (IR) spectroscopy and transmission electron microscopy (TEM) indicated a predominance of poorly-ordered imogolite-type materials (ITM) in the oxalate extractable fraction in an examined B horizons. The presence of well-ordered imogolite was only indicated in the Nyanget B3 horizon. A large proportion of free Fe was removed by ammonium oxalate. Comparisons of Mossbauer spectra (both at room temperature and at 4.2 K) before and after treatment with ammonium oxalate showed that the oxalate treatment resulted in a removal of a (super)paramagnetic Fe3+ phase? probably ferrihydrite. A comparison of the Mossbauer Fe3+ parameters at room temperature and 4.2 K indicated a close intergrowth of a ferrihydrite-like oxide with a magnetically neutral matrix, e.g., allophane. The specific surface area (SSA) was determined by N-2 adsorption before and after treatment of the samples with acid ammonium oxalate. The loss of SSA after oxalate treatment was considerable in the B horizon where only between 3.8 to 13.38 of the original SSA remained after treatment. The point of zero charge salt effect (PZSE) increased with depth in the B horizon from between 4.4 and 5.1 in the upper horizons to between 5.7 and 7.7 in the lower part of the B horizon. The increased PZSE with depth paralleled a decrease in the ratio of pyrophosphate soluble C to oxalate soluble Fe + Al. The affinity for SO42-. a goad indicator of the presence of active surface hydroxyls, was measured by comparing the H+ buffering capacity of a sample titrated in 2.5 mM Na2SO4 with a sample titrated in 5 mh I NaNO3,. The buffering capacity of the soil in the Na2SO4, electrolyte was well correlated with the amount of oxalate minus pyrophosphate soluble Fe + Al (r(2) = 0.88). The sulphate exchange capacity was considerably higher than CEC, especially in lower parts of the B horizon. The calculated surface area of the oxalate soluble material (OSM) ranged between 74 and 289 m(2) g(-1) and the calculated surface site density of the same material ranged between 0.6 to 3.3 site nm(-2). It was concluded that the surface reactivity in the B horizons is dominated by the poorly-ordered variable-charge oxides resulting in a low capacity to retain cations but a high capacity for adsorption of weak acid anions like SO42- and organic acids.

  • 47. Khai, Nguyen Manh
    et al.
    Oborn, Ingrid
    Hillier, Steve
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering (moved 20130630), Environmental Geochemistry and Ecotechnology.
    Modeling of metal binding in tropical Fluvisols and Acrisols treated with biosolids and wastewater2008In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 70, no 8, p. 1338-1346Article in journal (Refereed)
    Abstract [en]

    There is growing concern about the accumulation of metals in tropical agricultural soils. In this study, experimental results from batch studies were used to test whether multi-surface geochemical models could describe metal binding in selected Vietnamese soils. The multi-surface models considered metal binding to iron hydroxides (using the diffuse layer model), organic matter (Stockholm Humic model and NICA-Donnan model), and phyllosilicate clay (Gaines-Thomas equation) as well as complexation to dissolved organic and inorganic ligands in the solution phase. We found that for total dissolved Cd, Cu and Zn the two multi-surface models being tested provided very good model fits for all soils, as evidenced by low root-mean square errors between model predictions and observations. These results suggest that organic matter is an important sorbent for many metals in these soils. However, poor fits were obtained for Cr(III), Mn and Pb for all soils. The study also suggests that the pH is the main factor that controls the solubility of metals in tropical Fluvisols and Acrisols subjected to application of biosolids and wastewater, and that advanced multi-surface models can be used to simulate the binding and release of many trace metals.

  • 48. Khai, N.M
    et al.
    Ha, P.Q
    Vinh, N.C
    Gustafsson, J.P
    Öborn, I
    Effects of biosolids application on soil chemical properties in per-urban agricultural systems2008In: VNU Journal of Science, Earth Sciences, Vol. 24, p. 202-212Article in journal (Refereed)
  • 49. Kleja, D. B.
    et al.
    Standring, W.
    Oughton, D. H.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Land and Water Resources Engineering, Environmental Geochemistry and Ecotechnology.
    Fifield, K.
    Fraser, A. R.
    Assessment of isotopically exchangeable Al in soil materials using Al-26 tracer2005In: Geochimica et Cosmochimica Acta, ISSN 0016-7037, E-ISSN 1872-9533, Vol. 69, no 22, p. 5263-5277Article in journal (Refereed)
    Abstract [en]

    The solubility of aluminium (Al) in many acidic soils is controlled by complexation reactions with soil organic matter. In such soils, Al solubility is theoretically a function of the pool size of active Al, i.e., the total amount of Al that equilibrates with the sod solution within a defined period of time. To date, no reliable measurements of active Al in soil materials exist. In this study, we determined the isotopically exchangeable pool of Al (E-A1) as an operationally defined assessment of active Al in acidic mineral soils. The suitability of CuCl2 and pyrophosphate (Na4P2O7) as extractants for active Al was also evaluated. Eleven samples, mostly from spodic B horizons, were spiked with carrier-free Al-26 and equilibrated for different time periods (1-756 h). The size of the Al pool with which the Al-26 tracer exchanged increased with time during the whole experimental period. Thus, contact time between solid and solution phases needs to be defined when assessing the active Al pool. Values of E-A1 obtained after I to 5 d of equilibration were equal to the amount of CuCl2 extractable Al, but considerably smaller than the Na4P2O7-extractable pool. Equilibration times greater than 5 d resulted in CuCl2 extractable Al concentrations that under-estimated the active Al pool. Three of the investigated samples were rich in imogolite-type materials (ITM). In these samples, 30-50 % of the added Al-26 rapidly became associated with soil constituents in forms that could not be extracted by Na4P2O7, indicating that a part of ITM may be in a dynamic state.

  • 50.
    Kleja, Dan B.
    et al.
    Swedish University of Agricultural Sciences.
    Nakata, Satomi
    Swedish University of Agricultural Sciences.
    Persson, Ingmar
    Swedish University of Agricultural Sciences.
    Gustafsson, Jon Petter
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Land and Water Resources Engineering. Swedish University of Agricultural Sciences, Sweden.
    Silver(I) Binding Properties of Organic Soil Materials Are Different from Those of Isolated Humic Substances2016In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 50, no 14, p. 7453-7460Article in journal (Refereed)
    Abstract [en]

    The solubility of silver(I) in many soils is controlled by complexation reactions with organic matter. In this work we have compared the ability of isolated humic and fulvic acids to bind silver(I) with that of mor and peat materials. One new data set for Suwannee River Fulvic Acid was produced, which was consistent with published data sets for isolated fulvic and humic acids. The ability of soil materials to bind silver(I) was studied as a function of pH in the range 2.5-5.0, at a wide range of silver(I)-to-soil ratios (10(-4.2) - 10(-1.9) mol kg(-1)). By calibrating the Stockholm Humic Model on the humic and fulvic acids data sets, we showed that binding of silver(I) to both types of soil materials was much stronger (up to 2 orders of magnitude) than predicted from the silver(I) binding properties of the isolated humic materials. Thus, the approach taken for many other metals, that is, to model solubility in soils by using metal and proton binding parameters derived from isolated humic and fulvic acids, cannot be used for silver(I). One possible explanation for the discrepancy could be that silver(I) predominately interacted with various biomolecules in the soil samples, instead of humic- and fulvic-acid type materials.

123 1 - 50 of 107
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