• Title, Summary, Keyword: surface complexation model

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Activity Coefficients and Coulombic Correction Factor for Surface Complexation Modeling

  • Rhee, In-Hyoung
    • 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.

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Studies on the Adsorption Modeling of Cationic Heavy Metals(Pb, Cd) by the Surface Complexation Model (Surface Complexation Model을 이용한 양이온 중금속(Pb, Cd) 흡착반응의 모델화 연구)

  • 신용일;박상원
    • 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.

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Ion Exchange Modeling with Mass Action Law and Surface Complexation Models (질량작용법칙과 표면착화모델을 이용한 이온교환 모델링)

  • 안현경;김상대;이인형
    • 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.

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The influence of heavy metal on microbial biodegradation of organic contaminants in soil (토양내의 중금속이 유기오염물질 생분해에 미치는 영향 연구)

  • 최재영;박재우
    • Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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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.

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Triple-layer Surface Complexation Modeling on the Adsorption of cs-137 and Sr-90 onto Kaolinite: Effect of Groundwater Ions and pH (캐올리나이트의 셰슘-137 및 스트론튬-90 흡착에 대한 삼중층 표면복합반응 모델링: 지하수 이온성분 및 pH의 영향)

  • 정찬호;박상원;김수진
    • 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.

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Surface Complexation Modeling of $UO_2^{2+}$Sorption onto Goethite and Kaolinite

  • Jinho Jung;Jae kwang lee;Cho, Yong-Hwan;Dong kwon Keum;Hahn, Pil-Soo
    • Proceedings of the Korean Nuclear Society Conference
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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.

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Surface Complexation of Cationic Metal Adsorption Onto Amorphous Aluminum Oxide (무정형 알루미늄 산화물에 의한 양이온 중금속의 표면착화)

  • Park, Youn-Jong;Yang, Jae-Kyu;Choi, Sang-Il
    • Journal of Soil and Groundwater Environment
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    • v.13 no.1
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    • pp.101-109
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    • 2008
  • The adsorption characteristics of cationic metals such as copper, cadmium, and lead onto the amorphous aluminum oxide, AMA-L, which was mineralized from raw sanding powder at $550^{\circ}C$ were investigated. Additionally, surface complexation reaction of cationic heavy metals onto AMA-L was simulated with MINEQL + software employing a diffuse layer model. From the batch adsorption tests in a single element system, the adsorption affinity of each metal ion onto AMA-L was following order: lead > copper > cadmium. In a binary system composed with copper and cadmium, quite a similar adsorption affinity was observed in each metal ion compared to the single element system. When the surface complexation constants obtained in the single system were used in the prediction of experimental adsorption results, model predictions were well fitted with experimental results of both single and binary systems.