Modeling of Cd and Pb speciation in soil solutions by WinHumicV and NICA-Donnan model

Ge, Ying; MacDonald, Douglas H.; Sauvé, Sébastien; Hendershot, William H.

doi:10.1016/j.envsoft.2003.12.014

Cited by 49 publications

(28 citation statements)

References 16 publications

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“…It is generally assumed that the organic matter is composed of 50% C. Default values for the other two parameters are both 100%, which has been used by several authors in comparable studies (e.g. Christensen et al, 1999;Jansen et al, 2003;Ge et al, 2005), even if some authors have tested other conditions, for instance 50% of reactive humic substances (HS) with 100% or 90% of fulvic acid (FA) (Unsworth et al, 2006). In this study, as it was not possible to speculate on these parameters, it was decided to test the following organic matter models: 50% or 100% of reactive HS with a proportion of 50% or 100% of FA.…”

Section: Fe(ii) Speciation Modellingmentioning

confidence: 99%

Strong chemical evidence for high Fe(II)-colloids and low As-bearing colloids (200nm–10kDa) contents in groundwater and flooded paddy fields in Bangladesh: A size fractionation approach

Garnier

Hurel

Garnier

et al. 2011

Applied Geochemistry

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Section: Fe(ii) Speciation Modellingmentioning

confidence: 99%

Strong chemical evidence for high Fe(II)-colloids and low As-bearing colloids (200nm–10kDa) contents in groundwater and flooded paddy fields in Bangladesh: A size fractionation approach

Garnier

Hurel

Garnier

et al. 2011

Applied Geochemistry

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“…Visual Minteq is a chemical equilibrium model extensively used in the literature (Ge et al, 2005;Doig and Liber, 2007) for the accurate calculation of metal speciation, precipitation and dissolution. Metal ion speciation is calculated using equilibrium constants from the Minteq database ( Table 2).…”

Section: Determination Of Lead Concentration and Speciation In Solutimentioning

confidence: 99%

Lead-induced genotoxicity to Vicia faba L. roots in relation with metal cell uptake and initial speciation

Shahid

Pinelli

Pourrut

et al. 2011

Ecotoxicology and Environmental Safety

228

102

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. Lead-induced genotoxicity to Vicia faba L.roots in relation with metal cell uptake and initial speciation. Ecotoxicology and Environmental Safety, Elsevier, 2011, vol. 74, pp. 78-84. <10.1016/j.ecoenv.2010 a b s t r a c tFormation of organometallic complexes in soil solution strongly influence metals phytoavailability. However, only few studies deal with the influence of metal speciation both on plant uptake and genotoxicity. In the present study, Vicia faba seedlings were exposed for 6 h in controlled hydroponic conditions to 5 mM of lead nitrate alone and chelated to varying degrees by different organic ligands.Ethylenediaminetetraacetic acid and citric acid were, respectively, chosen as models of humic substances and low weight organic acids present in natural soil solutions. Visual Minteq software was used to estimate free lead cations concentration and ultimately to design the experimental layout. For all experimental conditions, both micronucleus test and measure of lead uptake by plants were finally performed. Chelation of Pb by EDTA, a strong chelator, dose-dependently increased the uptake in V. faba roots while its genotoxicity was significantly reduced, suggesting a protective role of EDTA. A weak correlation was observed between total lead concentration absorbed by roots and genotoxicity (r 2 ¼0.65). In contrast, a strong relationship (r 2 ¼0.93) exists between Pb 2 + concentration in exposure media and genotoxicity in the experiment performed with EDTA. Citric acid induced labile organometallic complexes did not demonstrate any significant changes in lead genotoxicity or uptake. These results demonstrate that metal speciation knowledge could improve the interpretation of V. faba genotoxicity test performed to test soil quality.

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“…4 indicate that the model was adequate to describe the speciation of Cu in the soil solution studied. Moreover, the values of RMSE were lower than or of the same order of magnitude as other values published (0.16-0.35, [33] 0.54-1.52, [34] 0.28-0.40 [65] ) by various authors modelling metal speciation in soil solution with other conceptual models. …”

Section: Simulation Treatment With Mineql+: the Modelling Approachmentioning

confidence: 48%

“…For the two distinct approaches, an evaluation of the model performance using the root mean square error (RMSE) was made [34] …”

Section: Simulation Treatment With Mineql+: the Modelling Approachmentioning

confidence: 99%

“…[33,34] Our objective here is to use a simple chemical equilibrium model to calculate the chemical speciation in a soil solution presuming that the chemistry is inherently dominated by the omnipresent solid phase. The chemical control given by the solid phase will then be dependent on the sorption properties of the solid phase and simple affinity constants for this soil ligand will be determined so as to be able to predict relative distribution of given metals between the soil's solid phase and the soil solution.…”

Section: Introductionmentioning

confidence: 99%

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Evaluation of affinity constants of Cu, Cd, Ca and H for active soil surfaces for a solid phase-controlled soil ligand model

Rachou

Sauvé

2008

Environ. Chem.

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Environmental context. The speciation of metals in soils is controlled by the equilibrium between the solid and aqueous phases and by several parameters such as pH and total metal concentrations. The integration of affinity constants between several cations and active soil surfaces of different soils in the chemical equilibrium modelling software MINEQL+ allows a good evaluation of the chemical speciation of the metals. Abstract.A new approach, derived from the concept of the biotic ligand model, was used for the determination of the affinity constants of Ca, Cu, Cd and H to the active surfaces of different kinds of soils. This approach allowed us to obtain consistent data and to integrate these values in the chemical equilibrium modelling software MINEQL+ and eventually into a solid phase-controlled soil ligand model. This could then very easily be transformed into a terrestrial biotic ligand model by adding constants for biological components. We obtained the chemical speciation of the metals of interest by integrating the initial characteristics of the soil (pH; cation exchange capacity, CEC; total metal concentrations in soil extracts; ionic strength; and CO 2 pressure). Comparison of the predicted and measured values of free Cu 2+ is excellent using soil-specific affinity constants as well as average values. The average affinity constants between the active soil surfaces (S) and the target cations are log K Ca-S = −0.84 (±0.01), log K Cu-S = 5.3 (±0.1), log K Cd-S = 4.4 (±0.2) and log K H-S = 4.1 (±0.2). External soils have been used to validate the conceptual model and the results show a very good correlation between the predicted and the measured free Cu (pCu) except for an acidic soil (pH < 5.2), highlighting the importance of integrating Al into the model.

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Modeling of Cd and Pb speciation in soil solutions by WinHumicV and NICA-Donnan model

Cited by 49 publications

References 16 publications

Strong chemical evidence for high Fe(II)-colloids and low As-bearing colloids (200nm–10kDa) contents in groundwater and flooded paddy fields in Bangladesh: A size fractionation approach

Strong chemical evidence for high Fe(II)-colloids and low As-bearing colloids (200nm–10kDa) contents in groundwater and flooded paddy fields in Bangladesh: A size fractionation approach

Lead-induced genotoxicity to Vicia faba L. roots in relation with metal cell uptake and initial speciation

Evaluation of affinity constants of Cu, Cd, Ca and H for active soil surfaces for a solid phase-controlled soil ligand model

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