Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

Bonten, L.T.C.; Groenenberg, J.E.; Meesenburg, Henning; Vries, Wim de

doi:10.1016/j.envpol.2011.05.002

Cited by 22 publications

(20 citation statements)

References 34 publications

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“…they cannot be generalized to other soils or even to other soil layers. This has been identified as a weak point of the ion-exchange models when comparing them to more process-oriented models such as CHUM-AM and SMARTml, for which site-specific optimisation of any constants or 15 selectivity coefficients should not be necessary (Bonten et al 2011). …”

Section: Aluminium and Base Cations In Ion-exchange Modelsmentioning

confidence: 99%

“…it assumes Al solubility to be governed by organic complexation as long as the soil solution is undersaturated with respect to Al(OH)3(s). If not, equilibrium with respect to Al(OH)3(s) is assumed (Bonten et al 2011). The solubility of base cations is governed mainly by electrostatic 15 attraction to the Donnan phase of the soil humic and fulvic acid.…”

Section: Aluminium and Base Cations In Smartml 15mentioning

confidence: 99%

“…So far, the SMARTml model has been applied only for one site, the Solling Forest, Germany, for which pH, major ions and trace elements of the soil solutions were simulated (Bonten et al 2011;Bonten et al 2015).…”

Section: Aluminium and Base Cations In Smartml 15mentioning

confidence: 99%

“…However, some dynamic models have been developed that contain updated descriptions. These are CHUM-AM (Tipping, 1996;Tipping et al 2006), which uses WHAM, and SMARTml (Bonten et al 2011), which includes the NICA-Donnan model. Recently, the HD-MINTEQ SOIL Discuss., https://doi.org/10.…”

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confidence: 99%

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Aluminium and base cation chemistry in dynamic acidification models – need for a reappraisal?

Gustafsson¹,

Belyazid²,

McGivney³

et al. 2018

Preprint

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Abstract. Long-term simulations of the water composition in acid forest soils require that accurate descriptions of aluminium and base cation chemistry are used. Both weathering rates and soil nutrient availability depend on the concentrations of Al 3+ ,of H+, and of base cations (Ca 2+ , Mg 2+ , Na + and K + ). Consequently, assessments of the acidification status and base cation 15 availability will depend on the model being used. Here we review in what ways different dynamic soil chemistry models describe the processes governing aluminium and base cation concentrations in the soil water. Furthermore, scenario simulations with the HD-MINTEQ are used to illustrate the difference between model approaches. The results show that all investigated models provide the same type of response to changes in input water chemistry. Still, for base cations we show that the differences in the magnitude of the response may be considerable depending on whether a cation-exchange equation 20 (Gaines-Thomas, Gapon) or an organic complexation model is used. The former approach, which is used in many currently used models (e.g. MAGIC, ForSAFE), causes stronger pH-buffering over a relatively narrow pH range, as compared to stateof-the-art models relying on more advanced descriptions in which organic complexation is important (CHUM, HD-MINTEQ).As for aluminium, a fixed gibbsite constant, as used in MAGIC and ForSAFE, leads to slightly more pH-buffering than in the more advanced models that consider both organic complexation and Al(OH)3(s) precipitation, but in this case the effect is 25 small. We conclude that the descriptions of acid-base chemistry and base cation binding in models such as MAGIC and ForSAFE are only likely to work satisfactorily in a narrow pH range. If the pH varies greatly over time, the use of modern organic complexation models is preferred over cation exchange equations.

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Section: Aluminium and Base Cations In Ion-exchange Modelsmentioning

confidence: 99%

Section: Aluminium and Base Cations In Smartml 15mentioning

confidence: 99%

Section: Aluminium and Base Cations In Smartml 15mentioning

confidence: 99%

mentioning

confidence: 99%

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Aluminium and base cation chemistry in dynamic acidification models – need for a reappraisal?

Gustafsson¹,

Belyazid²,

McGivney³

et al. 2018

Preprint

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“…Although, they have extensively tested the sensitivity of the model, a validation was not performed. Validation is possible by using historical series (Bonten et al, 2011;Abraham et al, 2016), or recalculating current soil Cd levels, as performed on a local scale in Germany (Ingwersen & Streck, 2006), and a national scale for Australia …”

Section: The Effect Of Using Mineral Phosphate Fertilisers On CD Accumentioning

confidence: 99%

Cadmium in soil, crops and resultant dietary exposure

Rietra

Mol

Rietjens³

et al. 2017

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The use of assemblage models to describe trace element partitioning, speciation, and fate: A review

Groenenberg

Lofts

2014

Enviro Toxic and Chemistry

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Article (refereed) -postprintGroenenberg, Jan E.; Lofts, Stephen. 2014. The use of assemblage models to describe trace element partitioning, speciation, and fate: a review. Environmental Toxicology and Chemistry, 33 (10). 2181-2196. 10.1002/etc.2642 Contact CEH NORA team at noraceh@ceh.ac.ukThe NERC and CEH trademarks and logos ('the Trademarks') are registered trademarks of NERC in the UK and other countries, and may not be used without the prior written consent of the Trademark owner. Running head: Review assemblage models understanding of the behaviour and speciation of trace elements in surface waters [6, 7] 9 groundwaters [8, 9] and soils [10][11][12], rare earth and radionuclide geochemistry [13, 14] and 10 interactions of potential toxic trace elements with biota [15][16][17]. Combination of ion-binding 11 models for the various components into "assemblage models" is a promising way to predict 12 partitioning and speciation of metals and metalloids in natural environments [18][19][20][21] and 13 waste materials and the dynamic behaviour of metals in soils, including transport to surface 14 water [22, 23]. Concurrent with the increase in the number of mechanistic models of ion- 15binding has been an increase in the use of such models in environmental risk and hazard 16 assessment of trace elements [24][25][26]. Increased use of assemblage models for these purposes conceptual underpinning, parameterisation and methods to assess site specific inputs. 22Furthermore, insight is needed on the consequences of choices of concepts, parameterisation, 23and site-specific inputs on the performance and utility of the models. 24Assemblage model conceptAssemblage models combine thermodynamic models for inorganic speciation and 1 mineral equilibria with separate models for ion binding to various reactive components 2 (oxides, clay, organic matter). The ion binding models are based on general thermodynamic 3 principles. However, the complexity of ion binding to heterogeneous complexants requires 4 simplifications in order to obtain practical models [27]. In this paper we will use the term 5 surface complexation for the binding of ions to mineral surfaces and humic ion binding for 6 binding to humics. In general we refer to these models as ion binding models. The models 7 distinguish explicitly between electrostatic and ion-specific binding and account for 8 competition among ions for binding. This allows the models to be applied across wide ranges binding. An alternative is the generalized composite approach, in which binding to the whole 21 assemblage is simulated using a composite binding phase with generic surface sites. The 22 generic surface sites represent average properties of the soil or sediment surface rather than 23 specific minerals [31]. Binding constants and reaction stoichiometries are fit to experimental 24 7 data for the site specific assemblage [32], and are therefore not transferable to other sites. For 1 an overview of applications of the general composite approach one is referred to [31, 33]....

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Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

Cited by 22 publications

References 34 publications

Aluminium and base cation chemistry in dynamic acidification models – need for a reappraisal?

Aluminium and base cation chemistry in dynamic acidification models – need for a reappraisal?

Cadmium in soil, crops and resultant dietary exposure

The use of assemblage models to describe trace element partitioning, speciation, and fate: A review

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