Interaction of Zn with ferrihydrite and its cooperative binding in the presence of PO4

Eynde, Elise Van; Hiemstra, Tjisse; Comans, R.N.J.

doi:10.1016/j.gca.2022.01.010

Cited by 10 publications

(5 citation statements)

References 45 publications

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“…In Pb-PO 4 coexisting systems, Model B that did not include Pb-PO 4 ternary complexes underestimated Pb adsorption when 400 μM PO 4 was added (RMSE = 20.0%, Table S2), although it was successful in predicting Pb adsorption when 200 μM PO 4 was added (Figure ). On the other hand, Model A that incorporated ternary Pb-PO 4 complexes can accurately describe Pb adsorption in all systems (RMSE = 2.2–2.7%), indicating that the inclusion of ternary surface species is crucial for improving the accuracy of Pb adsorption predicted, particularly at high PO 4 levels. ,, The optimized model parameters for this ternary complex are listed in Table .…”

Section: Resultsmentioning

confidence: 99%

“…On the other hand, Model A that incorporated ternary Pb-PO 4 complexes can accurately describe Pb adsorption in all systems (RMSE = 2.2–2.7%), indicating that the inclusion of ternary surface species is crucial for improving the accuracy of Pb adsorption predicted, particularly at high PO 4 levels. 16 , 17 , 50 The optimized model parameters for this ternary complex are listed in Table 1 .…”

Section: Resultsmentioning

confidence: 99%

“…Cluster and periodic DFT calculations were both employed for calculating Pb and PO 4 adsorption on goethite (110) face based on chemical stoichiometry and surface species obtained with EXAFS analysis or/and CD-MUSIC modeling. − For the cluster DFT calculations, an iron-dimer model was constructed, which has been validated by numerous studies for its effectiveness in simulating local binding structures. ,− The cluster DFT calculations were executed using the Gaussian 16 software . Periodic DFT calculations were performed using the Vienna ab initio simulation package (VASP) 5.4 .…”

Section: Methodsmentioning

confidence: 99%

“…5 In addition, calculations using the literature model parameters for Pb, Cd, Cu, and Zn adsorption on ferrihydrite also demonstrated a higher likelihood for Pb and PO 4 of forming ternary complexes as compared to Cd, Zn, and Cu. 16,17,50 The results suggest that omitting Pb-PO 4 ternary complex formation may significantly underestimate Pb immobilization in environmental samples, especially at a high PO 4 loading.…”

Section: Ternary Pb-po 4 Complexationmentioning

confidence: 97%

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Quantitative Insights into Phosphate-Enhanced Lead Immobilization on Goethite

Lian,

Yu,

et al. 2024

Environ. Sci. Technol.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Ternary Pb-po 4 Complexationmentioning

confidence: 97%

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Quantitative Insights into Phosphate-Enhanced Lead Immobilization on Goethite

Lian,

Yu,

et al. 2024

Environ. Sci. Technol.

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“…The main disadvantage or limitation for the implementation of surface complexation models in soil adsorption processes description is that they require many parameters, which sometimes are not available at all, or it can be difficult or time-demanding to be obtained, or are obtained by fitting procedures under specific conditions, which limits the generic applicability of the models (Goldberg, 2005). However, the great advance and frequent application of the CD-MUSIC model during the last years has provided most of the necessary parameters for modeling the adsorption of protons, phosphate, zinc, boron, calcium, and magnesium for pure and multi-surface soil systems (e.g., Van Eynde et al, 2022. Furthermore, this significant advance allowed us to use this tool to study and better understand the boron-phosphate interactions in volcanic soil systems, as described in Chapter 2.…”

Section: General Introductionmentioning

confidence: 99%

Fertilizer interactions with micronutrients in tropical volcanic soils

Corrales¹

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Background information for the development of this research:Around the year 2010, we studied nutrient management for papaya (Carica papaya L.) production systems in Costa Rica. The main reason to study these production systems was that papaya is principally grown by small farmers in Costa Rica, who generally operated under low input conditions and limited technical assistance. In addition, there was a general lack of essential information about the correct management of this crop. Firstly, we characterized the nutrient uptake for a high-yielding papaya hybrid (Figure 1.1) . As a result, we found that papaya absorbed amounts of nutrients that exceed the quantities typically applied by farmers, and the fertilizer amounts previously applied were not compensating for total plant nutrient uptake. The application of lower quantities of fertilizer compared to the plant nutrient uptake have several consequences for growers and for the soil system, for instance low productivity per unit area, and depletion of nutrients. Additionally, the nutrient management in papaya production systems is difficult because of the variation of the nutrient requirements over time. Papaya nutrient uptake is concentrated in short periods of time (Figure 1.1), which complicates the correct supply of highly demanded nutrients according to their uptake by the plant. Excessive input of a specific fertilizer in the soil could produce side effects like competition with other ions and increased leaching rates.According to previous observations of the high nutrient demand for the papaya production systems, the growers have increased the addition of fertilizer rates (basically N-P-K) considerably, but this decision lacked agronomical and environmental evidence that justify this practice. Consequently, we have developed field experiments to evaluate the agronomical effects (possible decreasing of yield gaps) of the application of increased N and K fertilizer rates in papaya. The results of this experiment for a dystric volcanic soil are shown in Figure 1.2. From these experiments we observed a noticeable increase in the number of fruits per plant when adding high rates of N and K. These results thus support the use of high fertilizer rates in papaya production systems.The decision to apply increased fertilizer rates for papaya production systems, however, did not consider the environmental consequences of the movement of concentrated solutions through these soils mainly because the possible consequences were not completely understood. Concerned about potential environmental implications due to increased nutrient management in papaya production systems, we realized that the addition of high fertilizer rates is a common practice in other large-scale agricultural production systems and is common for intensive production systems developed in permeable volcanic soils.For instance, more than 43.000 hectares are currently cultivated with bananas in Costa Rica (CORBANA, 2022), receiving high rates of N-P-K fertilizers to account for the high yields required by...

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