• Title/Summary/Keyword: surface complexation model

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Characterization of the Purified Ca-type Bentonil-WRK Montmorillonite and Its Sorption Thermodynamics With Cs(I) and Sr(II)

  • Seonggyu Choi;Bong-Ju Kim;Surin Seo;Jae-Kwang Lee;Jang-Soon Kwon
    • 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.

Sorption of $UO^{2+}_2$ onto Goethite and Kaolinite: Mechanistic Modeling Approach

  • Jinho Jung;Lee, Jae-Kwang;Cho, Young-Hwan;Keum, Dong-Kwon;Hahn, Pil-Soo
    • 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.

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Surface Complexation Modeling of Cadmium Sorption onto Synthetic Goethite and Quartz (표면착물 모델을 이용한 합성 침철광과 석영의 카드뮴 흡착 모사)

  • Ok, Yong-Sik;Jung, Jin-ho;Lee, Ok-Min;Lim, Soo-kil;Kim, Jeong-Gyu
    • Korean Journal of Soil Science and Fertilizer
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    • v.36 no.4
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    • pp.210-217
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    • 2003
  • An alternative method to the empirical approach such as Langmuir and Freundlich model, surface complexation model using thermodynamic database is used to simulate adsorption behavior of cadmium for oxide minerals. Sorption of cadmium onto amorphous silica ($SiO_2$) and synthetic goethite (${\alpha}$-FeOOH) at various conditions of pH, initial cadmium loading, oxide concentration, and ionic strength, were investigated. For both oxide minerals, increasing cadmium concentration resulted in right shifting of the sorption curve of cadmium as the function of pH. The $pH_{50}$, where 50% of cadmium sorbed, of goethite (pH 5.25) was much smaller than that of the silica (pH 7.83). The sorption of cadmium onto both minerals were not affected by the background ion strength from $10^{-1}$ to $10^{-2}$ M of $KNO_3$. It indicated that the binding affinity of goethite surface for cadmium is much stronger than that of silica. The strong affinity of oxide mineral for cadmium can be explained by the existence of coordination or covalent bond between cadmium and surface of it.

The Interfacial of Ferrosoferric Oxide in Aqueous Potassium Nitrate Solution

  • Shim, Kyoo-Shik;Takyue Ree
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.12 no.1
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    • pp.17-33
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    • 1986
  • The interfacial Properties of ferrosoferric oxide suspended in aqueous KNO3 solution are investigated by studying the zeta potentials and surface charge densities at $25^{\circ}C$. The zeta potentials are obtained by measuring the electrophoretic mobility and the surface charge densities by potentiometric titrations in the aqueous KNO3 solutions of different concentrations from 10-3 to 10-1M. The data are interpreted by the surface dissociation and complexation model of Davis, et als. and the modified model.

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Sorption of Eu on MX-80 Bentonite in Na-Ca-Cl Brine Solutions

  • Yang, Jieci;Racette, Joshua;Garcia, Fabiola Guido;Nagasaki, Shinya;Yang, Tammy
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.20 no.2
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    • pp.151-160
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    • 2022
  • The sorption of Eu on MX-80 bentonite in Na-Ca-Cl solutions is investigated at a molal proton concentration (pHm) range of 3 to 10 and an ionic strength (I) range of 0.1 to 6 m (mol·kgw-1). The sorption equilibrium of Eu on MX-80 is achieved within 14 to 21 d at I = 0.1 and 6 m. The sorption distribution coefficient (Kd) values of Eu for MX-80 increase as pHm increases from 3 to 6 for all I values, and they are independent of pHm between 8 and 10 at I ≥ 0.5 m. Meanwhile, at I = 0.1 m, the Kd value at pHm = 10 is slightly lower than those at pHm = 8 and 9. The Kd values are not affected by the I values between 0.5 m and 6 m, whereas the Kd value at I = 0.1 m is greater than those at I ≥ 0.5 m, except at pHm = 10. A two-site protolysis nonelectrostatic surface complexation and cation exchange sorption model is applied to the Eu sorption data for I ≤ 4 m, and the equilibrium constants of the sorption reactions are estimated.

Surface Chemical Properties of Aqueous Kaolinite and Halloysite: Surface Complexation Modeling (수용액 내 캐올리나이트와 할로이사이트의 표면화학 특성: 표면복합반응 모델링)

  • 장세정;김수진
    • 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>.

Comparative Study of $Cu^{2+}$ Adsorption of Goethite, Hematite and Kaolinite : Mechanistic Modeling Approach

  • 정진호;조영환;한필수
    • Bulletin of the Korean Chemical Society
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    • v.19 no.3
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    • pp.324-327
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    • 1998
  • The mechanisms of Cu2+ adsorption onto goethite, hematite and kaolinite are different. Goethite and hematite showed a similar adsorption behavior (ionic-strength independent), but kaolinite gave somewhat different result (ionic-strength dependent). These experimenal results were successfully simulated using a surface complexation model, TLM, which defines the inner- or outer-sphere complex. The chemical nature of Cu2+ adsorption onto kaolinite was qualitatively identified by EPR spectroscopy.

A New Mechanism for Enhanced Beat Transport of Nanofluid (나노유체의 열전도도 향상에 관한 새로운 메커니즘)

  • Lee Dong-Geun;Kim Jae-Won
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.30 no.6 s.249
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    • pp.560-567
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    • 2006
  • Although various conjectures have been proposed to explain abnormal increase in thermal conductivity of nanofluids, the detailed mechanism could not be understood and explained yet. The main reason is primarily due to the lack of knowledge on the most fundamental factor governing the mechanisms such as Brownian motion, liquid layering, phonon transport, surface chemical effects and agglomeration. By applying surface complexation model for the measurement data of hydrodynamic size, zeta potential, and thermal conductivity, we have shown that sulfate charge state is mainly responsible for the increase in the present condition and may be the factor incorporating all the mechanisms as well. Moreover, we propose a new model including concepts of fractal and interfacial layer. The properties such as thickness and thermal conductivity of the layer are estimated from the surface charge states and the concept of electrical double layer. With this, we could demonstrate the pH dependences of the layer properties and eventually of the effective thermal conductivity of the nanofluid.