• 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.

• Environmental Engineering Research
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• v.8 no.2
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• pp.91-97
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• 2003

• 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.

• 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.

• 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 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.

• Proceedings of the KAIS Fall Conference
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• 2003.06a
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• pp.322-324
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• 2003

이온교환은 액체상에 존재하는 이온과 고체상에 존재하는 이온이 당량적으로 치환되는 것으로 정의하며, 치환되는 정도는 일반적으로 전하의 크기와 이온이 수화반경에 따라 달라진다. 지금까지의 이온교환 반응에 대한 모델링 연구는 실험식, 질량작용식, 열역학식, 전기이중층이론, 표면착화모델 등을 이용하여 2 성분에 대하여 다양한 시도를 하였다. 본 연구에서는 2, 3, 4성분에 대해 질량작용법칙과 전기이중층이론을 조합한 표면착화모델과 질량작용법칙을 이용한 모델을 수행하였다. 그 결과 표면착화모델이 질량작용법칙을 이용한 것보다 실험치와 일치함을 알 수 있었다.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.4 no.3
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• pp.307-311
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• 2003

The test did for the determine the optimized ratio of cation to anion in mixed ion exchange demineralizers. Binary, ternary, quaternary, and quinary cation and anion adsorption was performed to develop a comprehensive experimental data set from small-volume batch tests to obtain the selectivity coefficients of many cations and anions. The quantitative run time might be estimated by such ion exchange models as semi-empirical mass action and surface complexation models. The demineralizer can be used longer by increasing the ratios of cation to anion exchange resins in the bed.

• Journal of the Mineralogical Society of Korea
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• v.17 no.2
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• pp.157-168
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• 2004

The surface chemical properties of aqueous kaolinite and halloysite were studied using a potentiometric titration experiment and a computer program FITEQL3.2. Among the surface complexation models a constant capacitance model was selected for this study. The 2 sites - 3 p $K_{a}$ s model, in which the surfaces were assumed to have tetrahedral and octahedral sites, was reasonable for the description of the experimental data. The surface charges of both minerals were negative above pH of 4. The higher the pH, the lower the proton surface charge densities of both minerals. The ≡ $SiO^{[-10]}$ site played an important role in cation adsorption in acid and neutral pH range; whereas the ≡ Al $O^{[-10]}$ site was in an alkaline pH range. The optimized intrinsic constants of kaolinite, p $K_{a2(Si)}$$^{int}$, p $K_{al(Al)}$$^{int}$ and p $K_{a2(Al)}$$^{int}$ were 4.436, 4.564, and 8.461 respectively, and those of halloysite were 7.852, 3.885, and 7.084, respectively. The total Si and Al surface sites concentrations of kaolinite were 0.215 and 0.148 mM, and those of halloysite were 0.357 and 0.246 mM. The ratio of Si and Al surface site densities ([≡SiOH]:[≡AlOH]) of both minerals was 1 : 0.69. The total surface site density of kaolinite, 3.774 sites/n $m^2$, was 1.6 times larger than that of halloysite, 2.292 sites/n $m^2$./TEX>.

• Environmental Engineering Research
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• v.22 no.1
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• pp.95-107
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• 2017

Adsorption equilibrium and kinetic behavior of two toxic heavy metals hexavalent chromium [Cr(VI)] and mercury [Hg(II)] on mustard oil cake (MOC) was studied. Isotherm of total chromium was of concave type (S1 type) suggesting cooperative adsorption. Total chromium adsorption followed BET isotherm model. Isotherm of Hg(II) was of L3 type with monolayer followed by multilayer formation due to blockage of pores of MOC at lower concentration of Hg(II). Combined BET-Langmuir and BET-Freundlich models were appropriate to predict Hg(II) adsorption data on MOC. Boyd's model confirmed that external mass transfer was rate limiting step for both total chromium and Hg(II) adsorptions with average diffusivity of $1.09{\times}10^{-16}$ and $0.97m^2/sec$, respectively. Desorption was more than 60% with Hg(II), but poor with chromium. The optimum pH for adsorptions of total chromium and Hg(II) were 2-3 and 5, respectively. At strong acidic pH, Cr(VI) was adsorbed by ion exchange mechanism and after adsorption reduced to Cr(III) and remained on MOC surface. Hg(II) removal was achieved by complexation of $HgCl_2$ with deprotonated amine ($-NH_2$) and carboxyl (COO-) groups of MOC.