• Title/Summary/Keyword: isotherm modeling

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A simple and rapid approach to modeling chromium breakthrough in fixed bed adsorber

  • Chu, Khim Hoong
    • Advances in environmental research
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    • v.7 no.1
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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.

Discrimination of rival isotherm equations for aqueous contaminant removal systems

  • Chu, Khim Hoong
    • Advances in environmental research
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    • v.3 no.2
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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.

Integrated Modeling of Chloride Binding Isotherm of Concrete Based on Physical and Chemical Mechanisms (물리화학적 메커니즘에 기이한 큰크리트의 염화물 흡착 등온에 대한 모델링)

  • Yoon, In-Seok
    • Proceedings of the Korea Concrete Institute Conference
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    • 2006.11a
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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.

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Predictive Modeling of Competitive Biosorption Equilibrium Data

  • Chu K.H.;Kim E.Y.
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.11 no.1
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    • pp.67-71
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    • 2006
  • This paper compares regression and neural network modeling approaches to predict competitive biosorption equilibrium data. The regression approach is based on the fitting of modified Langmuir-type isotherm models to experimental data. Neural networks, on the other hand, are non-parametric statistical estimators capable of identifying patterns in data and correlations between input and output. Our results show that the neural network approach outperforms traditional regression-based modeling in correlating and predicting the simultaneous uptake of copper and cadmium by a microbial biosorbent. The neural network is capable of accurately predicting unseen data when provided with limited amounts of data for training. Because neural networks are purely data-driven models, they are more suitable for obtaining accurate predictions than for probing the physical nature of the biosorption process.

The applicability of Freundlich's isotherm model for the leaching of solidified hazardous waste using cementitious binders

  • Youn Jong Ho;Lee Heon Mo;Jeong Byung Gon;Chung Yong Hyun
    • Environmental Sciences Bulletin of The Korean Environmental Sciences Society
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    • v.2 no.1
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    • pp.9-19
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    • 1998
  • A laboratory study was conducted to investigate the immobilization of the laboratory waste sludge, mainly from chemical oxygen demand (COD) waste, using cementitious binders. The binders were: Ordinary Portland Cement (OPC), and lime-Rice Husk Ash(RHA) cement. The economic evaluation was done for three different kinds of cementitious binders, namely, OPC, Portalnd Rice Husk Ash Cement (PRHAC) which contained rice husk ash 50 percent by dry weight, and lime-RHA cement. The result showed that lime-RHA cement was the cheapest. The applicability of Freundlich's desorption isotherm was studied to assess the teachability of sludges. The teachability of cement mortars was found to follow the desorption isotherms. Therefore, it was concluded that based on this test, the leachate concentrations of the solidified heavy metals could be predicted, approximately by the Freundlich's isotherm desorption modeling.

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The applicability of Freundlichs isotherm model for the leaching of solidified hazardous waste using cementitious binders

  • Jong Ho Youn;Heo
    • Journal of Environmental Science International
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    • v.2 no.1
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    • pp.9.2-19
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    • 1993
  • A laboratory study was conducted to investigate the immobilization of the laboratory waste sludge, mainly from chemical oxygen demand (COD) waste, using cementitious binders. The binders were: Ordinary Portland Cement (OPC), and lime-Rice Husk Ash (RHA) cement. The economic evaluation was done for three different kinds of cementitious binders, namely, OPC, Portaind Rice Husk Ash Cement (PRHAC) which contained rice husk ash U percent by dry weight, and lime-RHA cement. The result showed that lime-RHA cement was the cheapest. The applicability of Freundlich's desorption isotherm was studied to assess the teachability of sludges. The teachability of cement mortars was found to follow the desorption isotherms. Therefore, it was concluded that based on this test, the leachate concentrations of the solidified heavy metals could be predicted, approximately by the Freundlich's isotherm desorption modeling.

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The Removal of Hexavalent Chromium from Aqueous Solutions Using Modified Holly Sawdust: Equilibrium and Kinetics Studies

  • Siboni, M. Shirzad;Samarghandi, M.R.;Azizian, S.;Kim, W.G.;Lee, S.M.
    • Environmental Engineering Research
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    • v.16 no.2
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    • pp.55-60
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    • 2011
  • The removal of hexavalent chromium from aqueous solutions onto modified holly sawdust was studied at varying initial hexavalent chromium concentrations, adsorbent doses, pHs and contact times. The removal of hexavalent chromium from aqueous solutions increased with increasing adsorbent dosage and contact time. The percentage of hexavalent chromium removed from the aqueous solutions decreased with increasing hexavalent chromium concentration and pH of the solution. The kinetics of the adsorption of hexavalent chromium onto modified holly sawdust was analyzed using pseudo first-order and pseudo second-order models. The pseudo second-order model described the kinetics of adsorption of hexavalent chromium. The Langmuir and Freundlich isotherm models were used for modeling of the adsorption equilibrium data. The Langmuir isotherm model well described the equilibrium data for the removal of hexavalent chromium by modified holly sawdust. The obtained maximum adsorption capacity was 18.86 mg/g at pH 7. The results showed that modified holly sawdust can be used as a low cost adsorbent for the treatment of aqueous solutions containing chromium.

Equilibrium modeling for adsorption of NO3- from aqueous solution on activated carbon produced from pomegranate peel

  • Rouabeh, I.;Amrani, M.
    • Advances in environmental research
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    • v.1 no.2
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    • pp.143-151
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    • 2012
  • Nitrate removal from aqueous solution was investigated using $ZnCl_2$ and phosphoric acid activated carbon developed from pomegranate peel with particle size 0.4 mm. Potassium nitrate solution was used in batch adsorption experiments for nitrate removal from water. The effects of activated carbon dosage, time of contact, and pH were studied. The equilibrium time was fond to be 45 min. Two theoretical adsorption isotherms namely Langmuir and Freundlich were used to describe the experimental results. The Langmuir fit the isotherm with the theoretical adsorption capacity ($q_t$) was fond 78.125 mg g-1. Adsorption kinetics data were modeled using the pseudo-first, pseudo-second order, and intraparticle diffusion models. The results indicate that the second-order model best describes adsorption kinetic data. Results show activated carbon produced from pomegranate is effective for removal of nitrate from aqueous solution.

Comparative Study on the Properties Estimation of the Constituents of the Natural Gas and Refrigerant Mixtures Between GERG-2004 Model and Peng-Robinson Equation of State (GERG-2004 모델식과 Peng-Robinson 상태방정식을 이용한 천연가스 및 냉매 구성성분들의 물성 비교연구)

  • Kim, Mi-Jin;Rho, Jae-Hyun;Kim, Dong-Sun;Cho, Jung-Ho
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.13 no.2
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    • pp.906-918
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    • 2012
  • In this study, we compared with results simulated by EOS(Equation of State) using Peng-Robinson model and GERG-2004 model for estimating vapor pressure, latent heat of vaporation, liquid density, and binary isotherm vapor-liquid equilibrium on pure components composing natural gases. We obtained the simulated results that while EOS using GERG-2004 model is more accurate than EOS using Peng-Robinson model for estimating liquid density, but rather it is less accurate for estimating binary isotherm vapor-liquid equilibrium. On the other hand, the use of Costald model in EOS using Peng-Robinson model for increasing more accuracy to calculate liquid density is almost same as EOS using GERG-2004 model within the error of 1 % compared with experimental data. Also, we confirmed that on the estimation of binary isotherm vapor-liquid equilibrium, EOS using GERG-2004 model is more accurate than EOS using Peng-Robinson model, but they are almost same.

Numerical modeling of two-dimensional simulation of groundwater protection from lead using different sorbents in permeable barriers

  • Masood, Zehraa B.;Ali, Ziad Tark Abd
    • Environmental Engineering Research
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    • v.25 no.4
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    • pp.605-613
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    • 2020
  • This study is to investigate the possibility of using activated carbon prepared from Iraqi date-pits (ADP) which are produced from palm trees (Phoenix dactylifera L.) as low-cost reactive material in the permeable reactive barrier (PRB) for treating lead (Pb+2) from the contaminated groundwater, and then compare the results experimentally with other common reactive materials such as commercial activated carbon (CAC), zeolite pellets (ZP). Factors influencing sorption such as contact time, initial pH of the solution, sorbent dosage, agitation speed, and initial lead concentration has been studied. Two isotherm models were used for the description of sorption data (Langmuir and Freundlich). The maximum lead sorption capacities were measured for ADP, CAC, and ZP and were found to be 24.5, 12.125, and 4.45 mg/g, respectively. The kinetic data were analyzed using various kinetic models particularly pseudo-first-order, pseudo-second-order, and intraparticle diffusion. COMSOL Multiphysics 3.5a depend on finite element procedure was applied to formulate transmit of lead (Pb+2) in the two-dimensional numerical (2D) model under an equilibrium condition. The numerical solution shows that the contaminant plume is hindered by PRB.