Predicting cadmium adsorption on soils using WHAM VI

Shi, Zhenquing; Allen, Herbert E.; Toro, Dominic M. Di; Lee, Suen-Zone; Meza, Diego M. Flores; Lofts, Stephen

doi:10.1016/j.chemosphere.2007.03.001

Cited by 37 publications

(29 citation statements)

References 24 publications

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“…Nonetheless, the models are applied to soils, generally using soil solution characteristics as input values (Almas et al 2006;Bertling et al 2006;Cloutier-Hurteau et al 2007;Ge et al 2005;Meers et al 2006;Ponizovsky et al 2008;Shi et al 2007Shi et al , 2008Thakali 2006;Thakali et al 2006;Weng et al 2002). However, there is no consensus on which model and parameterization are best suited to soils.…”

Section: Introductionmentioning

confidence: 98%

Assessing the variability of the bioavailable fraction of zinc at the global scale using geochemical modeling and soil archetypes

Plouffe

Bulle

Deschênes

2015

Int J Life Cycle Assess

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Purpose Total metal-based toxicity potentials, like the ones used in life cycle assessment (LCA), can sometimes introduce bias and significantly affect the validity of LCA results since toxicity is associated with the bioavailable metal fraction. Methods Here, the bioavailable fraction of zinc (Zn) for world soil types is obtained using the WHAM 6.0 geochemical speciation model. Prior to this, the usability of the WHAM model for soils using only globally available soil properties (soil texture, pH, cation exchange capacity, carbonate, and organic matter content) was validated with experimental soil data and compared to the use of empirical regressions. Results and discussion The results confirm that WHAM can predict Zn bioavailable fraction with an uncertainty of less than 2 orders of magnitude-41 % being of the same order of magnitude-for a wide variety of soils relative to field data, yielding estimates that are better than empirical regression results in terms of rank and value. World BFs for Zn span over 6 to 18 orders of magnitude for soluble and true solution Zn, respectively, thus confirming the importance of considering spatial variability. In total, 231 soil archetypes are defined based on the soil properties that influence speciation.Conclusions When compared to experimental values, soluble Zn obtained with WHAM seems to constitute a more reliable indicator of the bioavailable fraction of Zn than true solution Zn. Estimates obtained with the WHAM 6.0 model for soluble Zn were closer to field data in terms of value and rank as compared to estimates obtained with empirical regressions. Refining is required to obtain true solution Zn in organic soils. Although not exhaustive, the validation process covers a considerable proportion of world soils, therefore indicating that the method is promising to study Zn bioavailability at the global scale.

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Section: Introductionmentioning

confidence: 98%

Assessing the variability of the bioavailable fraction of zinc at the global scale using geochemical modeling and soil archetypes

Plouffe

Bulle

Deschênes

2015

Int J Life Cycle Assess

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“…Examples include 71 the acidification of soils [7][8][9][10][11][12][13][14] and surface waters [15] , trace metal behaviour in soils [16][17][18][19][20][21][22] , surface 72 waters [23][24][25][26][27][28][29][30][31] and groundwaters [32] , lake sediment diagenesis [33,34] , rare earth geochemistry [35-73 37] , iron and manganese geochemistry [38][39][40][41] , radionclide geochemistry [42][43][44][45] , organic matter 74 solubility in soils [46,47] , catchment modelling [48,49] , interactions of metals with biota [50,51] , 75 ecotoxicology [52][53][54][55][56][57][58][59] and Critical Loads …”

Section: Tipping Et Al Humic Ion-binding Model Vii_revisionmentioning

confidence: 99%

Humic Ion-Binding Model VII: a revised parameterisation of cation-binding by humic substances

2011

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Article (refereed) -postprintTipping, E.; Lofts, S.; Sonke, J.E.. 2011. Humic Ion-Binding Model VII: a revised parameterisation of cation-binding by humic substances. Environmental Chemistry, 8 (3). 225-235. 10.1071/EN11016Contact 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. [1,2] incorporating Humic Ion-Binding Model 55 V [3] or VI [4] permits the calculation of equilibrium chemical speciation for waters and soils in 56 which natural organic matter plays a significant role. The ion-binding models are based on 57 conventional chemical reactions involving O-containing weak acids, with empirical estimation 58 of the influence of soft ligand atoms (N, S) and electrostatic corrections, and are 59 parameterised from laboratory studies with isolated humic and fulvic acids. The NICA 60 model [5] is similarly parameterised and provides an alternative picture based on continuous 61 binding-site distributions. Tipping [2] identified both the Humic Ion-Binding Models and NICA 62 as comprehensive models, meaning that they deal with competitive interactions involving all 63 cations (including H + ), and take account of ionic strength effects and metal-proton exchange 64 ratios. They seek to represent cation-binding by the complex mixtures that comprise natural 65 organic matter as efficiently as possible, with the minimum number of parameters, in order to 66 be useful in addressing chemical processes in the environment. A different approach to 67 these parameterised models, but also potentially comprehensive, is the "forward modelling" 68 developed by Cabaniss [6] in which binding is calculated a priori from the known or assumed 69 distributed chemistry of humic substances. 70 Tipping et al. Humic Ion-Binding Model VII_REVISIONWHAM has been applied in a variety of research and regulatory areas. Examples include 71 the acidification of soils [7][8][9][10][11][12][13][14] and surface waters [15] , trace metal behaviour in soils [16][17][18][19][20][21][22] , surface 72 waters [23][24][25][26][27][28][29][30][31] and groundwaters [32] , lake sediment diagenesis [33,34] , rare earth geochemistry [35-73 37] , iron and manganese geochemistry [38][39][40][41] , radionclide geochemistry [42][43][44][45] , organic matter 74 solubility in soils [46,47] , catchment modelling [48,49] , interactions of metals with biota [50,51] , 75 ecotoxicology [52][53][54][55][56][57][58][59] and Critical Loads [60][61][62] . Given this evident utility, it is worthwhile to 76 continue to improve the humic ion-binding model and incorporate new data into its 77 parameterisation. Here we report on activities undertaken towards these goals, namely 78 modification of assumptions about multidentate binding, the fitting of new data, and the 79 introduction of a procedure to obtain more internally-consistent parameters. 80Changes in binding site formulation were prompte...

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“…The large decline in emissions of 89% for Ni, 92% for Cd and 99% for Pb since 1970 [10] is likely to have contributed significantly by the reduction in their concentrations in headwater streams. The trace metals Ni, Cd and Pb bind strongly to soil organic matter and the complexes transport with DOC [26][27][28]. For Ni, there is evidence to suggest that it migrates through the system almost un-retarded [26].…”

Section: Pollution Inputs To Riversmentioning

confidence: 99%

Chemical Quality Status of Rivers for the Water Framework Directive: A Case Study of Toxic Metals in North West England

Rowland

Neal

Sleep

et al. 2011

Water

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This paper provides data from two years of monitoring of the chemical quality of rivers and streams in North West England from the clean headwaters to polluted rivers just above the tidal reach and covers 26 sites including the Ribble, Wyre and the tributary rivers of the Calder and Douglas. Across the basins that include areas of rural, urban and industrial typologies, data is presented for three of the priority substances in the Water Framework Directive i.e., nickel (Ni), cadmium (Cd), and lead (Pb). Average concentrations are low and well below the Environmental Quality Standards values for all three of these substances. Cadmium and Pb appear in approximately equal proportions in the dissolved (<0.45 µm) and in the acid available particulate fractions (>0.45 µm) whilst Ni occurs predominantly in the dissolved form (92%). Regional inputs of these metals arise mostly from diffuse sources as the storm-flow concentrations are generally greater than at base-flow condition. Greater concentrations of Ni are transported at the headwaters and smaller tributary sites under storm flow condition than for the main stream of the Ribble. For Ni, amounts increase as the river proceeds from its headwaters down towards the Ribble and Wyre estuaries, whilst Cd and Pb show consistent values throughout the catchment. There is annual cycling of dissolved concentrations of Cd, Pb and Ni for the clean headwater streams that gives maxima during the latter half of the year when the river flow is greater. For the impacted sites the pattern is less distinct or absent. Our estimates

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Predicting cadmium adsorption on soils using WHAM VI

Cited by 37 publications

References 24 publications

Assessing the variability of the bioavailable fraction of zinc at the global scale using geochemical modeling and soil archetypes

Assessing the variability of the bioavailable fraction of zinc at the global scale using geochemical modeling and soil archetypes

Humic Ion-Binding Model VII: a revised parameterisation of cation-binding by humic substances

Chemical Quality Status of Rivers for the Water Framework Directive: A Case Study of Toxic Metals in North West England

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