• Advances in environmental research
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• 제3권2호
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• pp.131-149
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• 2014

Two different model selection indices, the Akaike information criterion (AIC) and the coefficient of determination ($R^2$), are used to discriminate competing isotherm equations for aqueous pollutant removal systems. The former takes into account model accuracy and complexity while the latter considers model accuracy only. The five types of isotherm shape in the Brunauer-Deming-Deming-Teller (BDDT) classification are considered. Sorption equilibrium data taken from the literature were correlated using isotherm equations with fitting parameters ranging from two to five. For the isotherm shapes of types I (favorable) and III (unfavorable), the AIC favors two-parameter equations which can easily track these simple isotherm shapes with high accuracy. The $R^2$ indicator by contrast recommends isotherm equations with more than two parameters which can provide marginally better fits than two-parameter equations. To correlate the more intricate shapes of types II (multilayer), IV (two-plateau) and V (S-shaped) isotherms, both indices favor isotherm equations with more than two parameters.

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 2002년도 총회 및 춘계학술발표회
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• pp.122-126
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• 2002

Contaminant transport in porous media is characterized by solving an advection-dispersion equation(ADE). The ADE can cover equilibrium phenomena of interest, which include sorption, decay, and chemical reactions. Among these phenomena, sorption mechanism is described by several types of sorption isotherm. If we assume the sorption isotherm as linear, the solution of ADE can be easily procured. However, if we consider the sorption isotherm as non-linear isotherm like a Dual Reactive Domain Model (DRDM), the resulting differential equation becomes non-linear. In this case, the solution of ADE cannot be easily acquired by an analytic method. In this paper, we present the numerical analysis of ADE using a DRDM. The results reveal that even if sorption data may be fitted well using linear or non-linear isotherm, the characteristics of contaminant transport of the two cases are different from each other. To be concrete, the retardation of linear isotherm has stronger effect than that of the DRDM. As the non-linearity of sorption isotherm increases, the difference of retardation effects of the two cases becomes larger. For a pulse source, the maximum concentration of the linear model is higher than that of the DRDM, but the plume of the DRDM moves faster than that of the linear model. Behaviors of contaminant transport using the DRDM are consistent with common features of a linear model. For instance, biodegradation effect becomes larger as time goes by The faster the seepage velocity is, the faster the plume of contaminant moves. The plume of the contaminant is distributed evenly over overall domain in the event of high dispersion coefficient.

• Biotechnology and Bioprocess Engineering:BBE
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• 제11권2호
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• pp.110-115
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• 2006

We conducted a sensitivity analysis of the simulated moving bed (SMB) chromatography with the case model of the separation of two amino acids phenylalanine and tryptophan. We consider a four-zone SMB chromatography where the triangle theory is used to determine the operating conditions. Competitive Langmuir isotherm model was used to determine the adsorption isotherm. The finite difference method is used to solve nonlinear partial differential equation (PDE) systems numerically. We examined the effects of alterations in the operating conditions(feed-extract, feed-raffinate, eluent-extract, eluent-raffinate, recycle, and switching time) and the adsorption isotherm parameters (Langmuir isotherm parameters a and b) on SMB efficiency. The variation range of operating conditions and Langmuir isotherm a was between -50 and 50% of original value and the variation range of the Langmuir isotherm b was between $2.25^{-5}$ and $2.25^5$ times of original value.

• Advances in environmental research
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• 제7권1호
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• pp.29-37
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• 2018

A simple mathematical model for predicting fixed bed adsorption dynamics is described. The model is characterized by a linear adsorption isotherm and a linear driving force expression for mass transfer. Its analytic solution can be approximated with an algebraic equation in closed form which is easily evaluated by spreadsheet computation. To demonstrate one application of the fixed bed model, a previously published adsorption system is used as a case study in this work. The adsorption system examined here describes chromium breakthrough in a fixed bed adsorber packed with imidazole functionalized adsorbent particles and is characterized by a nonlinear adsorption isotherm. However, the equilibrium behavior of the fixed bed adsorber is in essence governed by a linear adsorption isotherm due to the use of a low influent chromium concentration. It is shown that chromium breakthrough is predicted reasonably well by the fixed bed model. The model's parameters can be easily extracted from independent batch experiments. The proposed modeling approach is very simple and rapid, and only Excel is used for computation.

• 한국농업기계학회:학술대회논문집
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• 한국농업기계학회 1996년도 International Conference on Agricultural Machinery Engineering Proceedings
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• pp.886-895
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• 1996

To fit the desorption isotherm and adsorption isotherm for Pangola grass, the modified Henderson model, Chung-Pfost model, modified Halsey model, and modified Oswin model were used to fit the experimental EMC /ERH data. A step-by -step ERH measuring technique was used in this study. The ERH data were collected at three temperature levels of 5 $^{\circ}C$, $25^{\circ}C$ and 5$0^{\circ}C$ for Pangola grass whole plant, stem , and foliage. The modified Halsey model has the best fit for both desorption isotherm and adsorption isotherm of Pangola grass whole plant as compared with other models.

• Environmental Engineering Research
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• 제22권1호
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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.

• 한국콘크리트학회:학술대회논문집
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• 한국콘크리트학회 2006년도 추계 학술발표회 논문집
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• pp.537-540
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• 2006

Over the past few decades, a considerable number of studies on the durability of concrete have been carried out extensively. A lot of improvements have been achieved especially in modeling of ionic flows. However, the majority of these researches have not dealt with the chloride binding isotherm based on the mechanism, although chloride binding capacity can significantly impact on the total service life of concrete under marine environment. The purpose of this study is to develop the model of chloride binding isotherm based on the individual mechanism. It is well known that chlorides ions in concrete can be present; free chlorides dissolved in the pore solution, chemical bound chlorides reacted with the hydration compounds of cement, and physical bound attracted to the surface of C-S-H grains. First, sub-model for water soluble chloride content is suggested as a function of pore solution and degree of saturation. Second, chemical model is suggested separately to estimate the response of binding capacity due to C-S-H and Friedel's salt. Finally, physical bound chloride content is estimated to consider a surface area of C-S-H nano-grains and the distance limited by the Van der Waals force. The new model of chloride binding isotherm suggested in this study is based on their intrinsic binding mechanisms and hydration reaction of concrete. Accordingly, it is possible to characterize chloride binding isotherm at the arbitrary stage of hydration time and arbitrary location from the surface of concrete. Comparative study with experimental data of published literature is accomplished to validity this model.

• Biotechnology and Bioprocess Engineering:BBE
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• 제11권1호
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• pp.61-66
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• 2006

The simple Langmuir isotherm is frequently employed to describe the equilibrium behavior of protein adsorption on a wide variety of adsorbents. The two adjustable parameters of the Langmuir isotherm - the saturation capacity, or $q_m$, and the dissociation constant, $K_d$ - are usually estimated by fitting the isotherm equation to the equilibrium data acquired from batch equilibration experiments. In this study, we have evaluated the possibility of estimating $q_m$ and $K_d$ for the adsorption of bovine serum albumin to a cation exchanger using batch kinetic data. A rate model predicated on the kinetic form of the Langmuir isotherm, with three adjustable parameters ($q_m,\;K_d$, and a rate constant), was fitted to a single kinetic profile. The value of $q_m$ determined as the result of this approach was quantitatively consistent with the $q_m$ value derived from the traditional batch equilibrium data. However, the $K_d$ value could not be retrieved from the kinetic profile, as the model fit proved insensitive to this parameter. Sensitivity analysis provided significant insight into the identifiability of the three model parameters.

• 한국물환경학회지
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• 제25권5호
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• pp.750-757
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• 2009

The ammonium ion exchange characteristics of natural zeolite were investigated to remove ${NH_4}^+-N$. The effect of water temperature, particle size and competitive cation on the exchange capacity was examined. Ammonium ion exchange capacity tended to decrease when the temperature increased from $25^{\circ}C$ to $40^{\circ}C$. Exchange capacity was increased according to the particle size of natural zeolite comes to be small. Batch isotherm experiments were conducted for measuring ammonium ion exchange capacity. The ion exchange capacity was well described either by the Langmuir isotherm model or by the Freundlich isotherm model. The ammonium ion exchange capacity ($q_m$) of zeolite carrier can be calculated $11.744mg-{NH_4}^+/g$-carrier. The ion exchange capacity of manufactured zeolite carrier was showed a similar tendency as ion exchange capacity of powder-sized natural zeolite. Therefore, zeolite carrier can be used for increasing of nitrogen removal efficiency in the wastewater treatment plants.

• 한국환경과학회지
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• 제27권3호
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• pp.167-177
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• 2018

The removal characteristics of As and Se ions from aqueous solution by hexadecyl trimethyl ammonium bromide (HTMAB) modified anthracite (HTMAB-AT) were investigated under various conditions of contact time, pH and temperature. When the pH is 6, the zeta potential value of anthracite (AT) is -24 mV and on the other hand, the zeta potential value of the HTMAB-AT is +44 mV. It can be seen that the overall increase of about 60 mV. Increasing the (+) potential value indicates that the surface of the adsorbent had a stronger positive charge, so adsorption for the anion metal was increased. The isotherm data was well described by Langmuir and Temkin isotherm model. The maximum adsorption capacity was found to be 7.81 and 6.89 mg/g for As and Se ions from the Langmuir isotherm model at 298 K, respectively. The kinetic data was tested using pseudo first and pseudo second order models. The results indicated that adsorption fitted well with the pseudo second order kinetic model. The mechanism of the adsorption process showed that adsorption was dependent on intra particle diffusion model according to two step diffusion. The thermodynamic parameters(${\Delta}G^{\circ}$, ${\Delta}H^{\circ}$, and ${\Delta}S^{\circ}$) were also determined using the equilibrium constant value obtained at different temperatures. The thermodynamic parameters indicated that the adsorption process was physisorption, and also an endothermic and spontaneous process.