• Journal of Environmental Science International
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• v.8 no.2
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• pp.211-219
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• 1999

Surface complexation models(SCMs) have been performed to predict metal ion adsorption behavior onto the mineral surface. Application of SCMs, however, requires a self-consistent approach to determine model parameter values. In this paper, in order to determine the metal ion adsorption parameters for the triple layer model(TLM) version of the SCM, we used the zeta potential data for Zeolite and Kaolinite, and the metal ion adsorption data for Pb(II) and Cd(II). Fitting parameters determined for the modeling were as follows ; total site concentration, site density, specific surface area, surface acidity constants, etc. Zeta potential as a new approach other than the acidic-alkalimetric titration method was adopted for simulation of adsorption phenomena. Some fitting parameters were determined by the trial and error method. Modeling approach was successful in quantitatively simulating adsorption behavior under various geochemical conditions.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.3 no.2
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• pp.146-155
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• 2002

Surface complexation models employ mass law equations to describe the reaction of surface functional groups with ions in the solution and also Gouy-Chapman theory to consider the electrostatic effects in the surface reactions. In current surface complexation models, however, the coulombic factors used are not wholly consistent with the Gouy-Chapman model of the surface. This study was to provide the derivation of the coulombic term usually employed and then a revised coulombic term completely consistent with Gouy-Chapman Theory. The electrical potential energy. zF${\psi}$, in current surface complexation models is not consistent with the Gouy-Chapman theory with the potential gradient close to the charged surface but with the Donnan model with the uniform potential. Even though the new coulombic factor yielded lower surface potential, it provided worse fits for acid-base titration data of the goethite suspensions.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2000.11a
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• pp.196-201
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• 2000

The influence of adsorption on cadmium toxicity to soil microorganisms in smectite-rich soils and sediments was quantified as a function of solution and sorbent characteristics. Adsorption and surface complexation experiments were conducted to infer Cd sorption mechanisms to a reference smectite and three fractions of a Veritsol soil, and to elucidate the effects of the surface complexation on Cd bioavailability and toxicity in soils and sediments. Cadmium adsorption isotherms conformed to the Langmuir adsorption model, with adsorptive capacities of the different samples dependent on their characteristics. Equilibrium geochemical modeling (MINTEQA2) was used to predict the speciation of Cd in the soil suspensions using Langmuir and Triple Layer surface complexation models. The influence of adsorption and surface complexation on cadmium toxicity to soil microorganisms was assessed indirectly through the relative change in microbial hydrolysis of fluorescein diacetate (FDA) as a function of total Cd concentration and sorbent characteristics. Adsorption decreased the toxicity of Cd to soil microorganisms. Inner-sphere complexation is more effective than outer-sphere complexation in reducing the bioavailability and toxicity of heavy metals in soils and sediments.

• Proceedings of the Korean Nuclear Society Conference
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• 1998.05b
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• pp.453-457
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• 1998

The sorption of UO$_2$$^{2+}$showed ionic strength independece for goethite and dependence for kaolinite. In the presence of carbonate, the sorption decreased in the weakly alkaline pH range becase of the formation of aqueous U(VI)-carbonate complexes. The sorption of UO$_2$$^{2+}$onto goethite and kaolinite under various experimental conditions was successfully interpreted using a surface complexation modeling, named triple layer model (TLM). The best fit to the experimental data was obtained by the FITEQL program, and then evaluated with available spectroscopic data. The results showed the versatility of surface complexation modeling over empirical one to predict UO$_2$$^{2+}$ sorption behavior.avior.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2005.10a
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• pp.87-88
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• 2005

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.21 no.4
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• pp.427-438
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• 2023

Thermodynamic sorption modeling can enhance confidence in assessing and demonstrating the radionuclide sorption phenomena onto various mineral adsorbents. In this work, Ca-montmorillonite was successfully purified from Bentonil-WRK bentonite by performing the sequential physical and chemical treatments, and its geochemical properties were characterized using X-ray diffraction, Brunauer-Emmett-Teller analysis, cesium-saturation method, and controlled continuous acid-base titration. Further, batch experiments were conducted to evaluate the adsorption properties of Cs(I) and Sr(II) onto the homoionic Ca-montmorillonite under ambient conditions, and the diffuse double layer model-based inverse analysis of sorption data was performed to establish the relevant surface reaction models and obtain corresponding thermodynamic constants. Two types of surface reactions were identified as responsible for the sorption of Cs(I) and Sr(II) onto Ca-montmorillonite: cation exchange at interlayer site and complexation with edge silanol functionality. The thermodynamic sorption modeling provides acceptable representations of the experimental data, and the species distributions calculated using the resulting reaction constants accounts for the predominance of cation exchange mechanism of Cs(I) and Sr(II) under the ambient aqueous conditions. The surface complexation of cationic fission products with silanol group slightly facilitates their sorption at pH > 8.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.4 no.3
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• pp.296-300
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• 2003

A large equilibrium and kinetic data set for multi-component cation exchanges was obtained and tested with mass action law and surface complexation model. The systematic batch equilibrium and column experiments of cation adsorption were conducted for binary, ternary, quaternary, and quinary cation exchanges involving $ H^{+}, Li^ {+}, Na^{+}, NH$_4$^{+}, Mg^{2+} $ on a strongly acidic cation exchange resin IRN 77. The mass action law and surface complexation model were tested against both data set to investigate the consistency of ion selectivity and their predictability for competitive cation exchanges. Surface complexation model provided more accurate predictions for both equilibrium and kinetic experimental data than mass action model.

• Journal of the Mineralogical Society of Korea
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• v.11 no.2
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• pp.106-116
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• 1998

The adsorption of Cs-137 and Sr-90 onto kaolinite in prescence of major groundwater cations (Ca2+, K+, Na+) with different concentrations was simulated by using triple-layer surface complexation model (TL-SCM). The site density (8.73 sites/nm2) of kaolinite used for TL-SCM was calculated from it's CEC and specific surface area. TL-SCM modeling results indicate that concentrations dependence on 137Cs and 90Sr adsorption onto kaolinite as a function of pH is best modeled as an outer-sphere surface reaction. This suggests that Cs+ and Sr2+ are adsorbed at the $\beta$-layer in kaolinite-water interface where the electrolytes, Nacl, KCl and CaCl2, bind. However, TL-SCM results on Sr adsorption show a discrepancy between batch data and fitting data in alkaline condition. This may be due to precipitation of SrCO3 and complexation such as SrOH+. Intrinsic reaction constants of ions obtained from model fit are as follows: Kintcs=10-2.10, KintSr=10-2.30, KintK=10-2.80, KintCa=10-3.10 and KintNa=10-3.32. The results are in the agreement with competition order among groundwater ions (K+>Ca2+>Na+) and sorption reference of nuclides (Cs-137>Sr-90) at kaolinite-water interface showed in batch test.

• Proceedings of the Korean Radioactive Waste Society Conference
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• 2018.11a
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• pp.247-248
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• 2018

• Nuclear Engineering and Technology
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• v.31 no.2
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• pp.182-191
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• 1999

The sorption of UO$_{2}$$^{2+}$ onto goethite and kaolinite under various experimental conditions was successfully interpreted using surface complexation modeling (SCM). The SCM approach used in this work is the triple-layer model (TLM) in which weakly bonded ions are modeled as outer-sphere (ion-pair) complexes and strongly bonded ions as inner-sphere (surface coordination) complexes. The change of ionic strength did not affect the U(VI) sorption onto goethite, thus the formation of inner-sphere surface complexes, (FeO)$_2$UO$_2$ and (FeO)$_2$(UO$_2$)$_3$OH$_{5}$ was assumed to simulate the effects of ionic strength and goethite concentration. On the other hand, the U(VI) sorption onto kaolinite showed ionic strength dependence, thus the formation of AlO-UO$_{2}$$^{2+}$(outer-sphere complex) and SiO(UO$_2$)$_3$OH$_{5}$ (inner-sphere complex) was assumed to simulate the experimental data. In the presence of carbonates, the sorption of U(VI) onto kaolinite decreased in the weakly alkaline pH range. This was well simulated assuming the formation of a outer-sphere surface complex, A1OH$^{2+}$- (UO$_2$)$_2$CO$_3$OH$_3$. Since SCM approach uses thermodynamic data such as surface complexation constants, it is more predictive than empirical modeling approach in which conditional values such as partition coefficient are used. used.