• 한국산학기술학회논문지
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• 제3권2호
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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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• 제8권2호
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• pp.91-97
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• 2003

• 한국환경과학회지
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• 제8권2호
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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.

• 한국산학기술학회논문지
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• 제4권3호
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• pp.296-300
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• 2003

다성분 양이온 교환을 위한 평형과 동역학 데이터는 질량 작용 법칙과 표면 착화 모델을 이용하여 수행 및 평가하였다. 양이온 흡착의 평형과 칼럼 실험은 양이온 교환 합성 수지 IRN 77로 H/sup +/, Li/sup +/, Na/sup +/, NH₄/sup +/, Mg²/sup +/ 이용하여 2, 3, 4, 5 성분 양이온 교환을 수행하였다. 질량 작용 법칙과 표면 착화 모델은 이온 선택도와 경쟁적 양이온 교환을 조사하기 위하여 데이터에 대해 시험하였다. 표면 착화 모델은 질량 작용 모델보다 평형과 동역학 실험 데이터를 정확히 예측하였다.

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 2000년도 추계학술대회
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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.

• Nuclear Engineering and Technology
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• 제53권3호
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• pp.894-900
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• 2021

This paper examines sorption of Pd(II) onto illite, MX-80 bentonite, and Queenston shale in Na-Ca-Cl solutions of varying ionic strength (IS) from 0.01 to 6.0 mol/L (M) and pH_c ranging from 3 to 9 under atmospheric conditions. A 2-site protolysis non-electrostatic surface complexation and cation exchange model was applied to the Pd sorption onto illite and MX-80 using PHREEQC, and the model results were compared to the experimental ones obtained in this work. Surface complexation and cation exchange constants were estimated for both illite and MX-80 through the optimization process to bring the predicted distribution coefficients from the model into alignment with the experimentally derived values. These optimized surface complexation constants were compared to existing linear free energy relationships (LFER).

• 방사성폐기물학회지
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• 제19권1호
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• pp.1-7
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• 2021

The pH dependence of sorption distribution coefficient (Kd) of Np(IV) on MX-80 in Ca-Na-Cl type solution with the ionic strength of 0.3 M, which was similar to one of the reference groundwaters in crystalline rock, was experimentally investigated under the reducing conditions. The overall trend of Kd on MX-80 was independent of pH at 5 ≤ pH ≤ 10 but increased as pH increased at pH ≤ 5. The 2-site protolysis non-electrostatic surface complexation and cation exchange model was applied to the experimentally measured pH dependence of Kd and the optimized surface complexation constants of Np(IV) sorption on MX-80 were estimated. The values of surface complexation constants in this work agreed relatively well with those in the Na-Ca-Cl solution previously evaluated, suggesting that compared to Na+, the competition of Ca2+ with Np(IV) for surface complexation on MX-80 was not much strong in Ca-Na-Cl solution. The sorption model well predicted the pH dependence of Kd values but slightly overestimated the sorption at the low pH region.

• 한국광물학회지
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• 제11권2호
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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.

• 한국원자력학회:학술대회논문집
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• 한국원자력학회 1998년도 춘계학술발표회논문집(2)
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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.

• 한국지하수토양환경학회지:지하수토양환경
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• 제13권1호
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• pp.101-109
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• 2008

국내 화학회사에서 발생되는 연마분진 폐기물에 대한 흡착제로서의 재이용성을 평가하기 위하여 연마분진을 $550^{\circ}C$에서 하소시켜 얻어진 무정형 알루미늄 산화물(AMA-L)을 이용하여 양이온 중금속인 구리, 카드뮴, 납 등에 대한 흡착특성을 파악하였으며 MINEQL + 프로그램을 적용하여 AMA-L과 양이온 중금속 이온간의 표면흡착결합 반응을 모사하여 흡착실험결과와 비교하였다. 구리와 카드뮴, 납의 단일성분에 대한 AMA-L의 흡착실험결과, 납 > 구리 > 카드뮴의 순서로 친화력의 차이가 발생하는 것을 확인하였다. 구리와 카드뮴의 농도변화에 따른 AMA-L 흡착실험 결과 구리와 카드뮴의 농도를 증가시킴에 따라 두 성분의 흡착효율은 모두 감소되는 것으로 나타났으며 구리와 카드뮴이 동시에 존재하는 이성분계 흡착의 경우에는 단일성분으로 존재하는 경우와 유사한 흡착율을 나타내었으며 경쟁이온의 영향을 거의 받지 않는 것으로 확인이 되었다. 또한, AMA-L에 대한 흡착특성에 대한 MINEQL+를 이용한 모사결과 단일성분과 이성분계 흡착에 대한 흡착특성은 비교적 잘 일치하는 것으로 나타났다.