• Journal of the Korean GEO-environmental Society
• /
• v.7 no.1
• /
• pp.41-53
• /
• 2006

In this study, estimation of nonlinear adsorption isotherms(Langmuir & Freundlich adsorption isotherm) and advection-dispersion model parameters was conducted using genetic algorithm(GA) for Zn and Cd adsorption. Estimated parameters of nonlinear adsorption isotherms, which were obtained from the optimization process using genetic algorithm(GA), are nearly same with the parameters obtained from a linearization process of the nonlinear isotherms. Estimated effective diffusion coefficients, which were obtained from a finite element analysis of the advection-dispersion model and an optimization procedure using the genetic algorithm, for the metals were approximately in the order of $10^{-7}cm^2/s$ which could be obtained based on the linear distribution coefficient. The effective diffusion coefficients based on the nonlinear retardation factors were in the range of $10^{-6}{\sim}10^{-5}cm^2/s$. As a result, the correlation coefficient obtained between the measured and calculated concentration was over 0.9 which means that the genetic algorithm should be successfully applied to estimate the unknown parameters of the nonlinear adsorption isotherms and advection-dispersion model.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.8
• /
• pp.1549-1553
• /
• 2008

A molecular imprinted polymer (MIP) using (+)catechin ((+)C) as a template and acrylamide (AM) as a functional monomer was prepared. Acetonitrile was used as the porogen with ethylene glycol dimethacrylate (EGDMA) as the crosslinker and 2,2'-azobis(isobutyronitrile) (AIBN) as the initiator. The adsorption isotherms in the MIP were measured and the parameters of the equilibrium isotherms were estimated by linear and nonlinear regression analyses. The linear equation for original concentration and adsorpted concentrations was then expressed, and the adsorption equilibrium data were correlated into Langmuir, Freundlich, quadratic, and Langmuir Extension isotherm models. The mixture compounds of (+)C and epicatechin (EC) show competitive adsorption on specific binding sites of the (+)catechin-MIP. The adsorption concentrations of (+)C, epicatechin (EC), epicatechin gallate (ECG), and epigallocatechin gallate (EGCG), on the (+)catechin-molecular imprinted polymer were compared. Through the analysis, the (+)catechin-molecular imprinted polymer showed higher adsorption ability than blank polymer which was synthesized molecular imprinted polymer without (+)catechin. Furthermore, the competitive Langmuir isotherms were applied to the mixture compounds of (+)C and EC.

• Journal of Soil and Groundwater Environment
• /
• v.27 no.6
• /
• pp.11-21
• /
• 2022

Sorption of phenanthrene (PHE) and pyrene (PYR) in several sorbents, i.e., natural soil, BionSoil^®, Pahokee peat, vermicompost and Devonian Ohio Shale and a surfactant (hexadecyltrimethyl ammonium chloride)-modified montmorillonite (HDTMA-M) were investigated. Pyrene exhibited higher sorption tendency than phenanthrene, as predicted by its higher octanol to water partition coefficient (K_ow). Several sorption models: linear, Freundlich, solubility-normalized Freundlich model, and Polanyi-Manes model (PMM) were used to analyze sorption isotherms. Linear isotherms were observed for natural soil, BionSoil^®, Pahokee peat, vermicompost, while nonlinear Freundlich isotherms fitted for Ohio shale and HDTMA-M. The relationship between sorption model parameters, organic carbon content (f_oc), and elemental C/N ratio was studied. In the binary competitive sorption of phenanthrene and pyrene in natural soil, competition between the solutes caused reduction in the sorption of each solute compared with that in the single-solute system. The ideal adsorbed solution theory (IAST) coupled with the single-solute Freundlich model was not successful in describing the binary competitive sorption equilibria. This was due to the inherent nature of linear sorption of phenanthrene and pyrene in natural soil. The result indicates that the applicability of IAST for the prediction of binary competitive sorption is limited when the sorption isotherms are inherently linear.

• Transactions of the Korean hydrogen and new energy society
• /
• v.16 no.4
• /
• pp.307-314
• /
• 2005

In this work, a static volumetric method was experimentally implemented to measure the adsorption isotherm of hydrogen and methane by the activated carbon. The equilibrium data of stationary phase and mobile phase were correlated into the Langmuir, Freundlich, Langmuir-Freundlich, and Toth isotherms, respectively. In addition, the comparison between prediction and experimental data was made. By a nonlinear regression analysis, the experimental parameters in the equilibrium isotherms were estimated and compared. Then, the linear and quadratic equations for pressure and temperature to adsorption amounts were expressed. The adsorption amounts were increased with the pressure increase and the temperature decrease.

• Korean Chemical Engineering Research
• /
• v.46 no.4
• /
• pp.681-685
• /
• 2008

Chiral separation of racemic mandelic acid was achieved on a Kromasil KR100-5CHI-TBB column. Some chromatographic parameters (resolution, number of theoretical plates, capacity factor) are calculated under different separation conditions such as changes of mobile phase compositions (hexane/t-BME = 85/15 - 10/90) as well as formic acid concentrations for adjusting pH (0.1, 0.5, 1.0 v/v%). Flow rate versus number of theoretical plates was compared to evaluate column efficiency. To determine the adsorption isotherms, PIM (Pulse Input Method) was carried out. At the concentrations of racemic mandelic acid between 0.1 and 0.3 mg/ml, L- and D-mandelic acids have the same retention times of 8.8 and 9.4 min respectively. Mandelic acid isotherms show a linear form under the concentrations of 0.3 mg/ml with eluent (hexane/t-BME = 75/25). As the concentrations of mandelic acids increase, nonlinear Langmuir isotherms were observed as $C_{S,L}=3.358C_{M,L}/(1+0.0897C_{M,L})$ for L-mandelic acid and, $C_{S,D}=3.692C_{M,D}/(1+0.1457C_{M,D})$ for D-mandelic acid.

• 한국신재생에너지학회:학술대회논문집
• /
• 2010.11a
• /
• pp.60.2-60.2
• /
• 2010

A $TiO_2$ films in dye-sensitized solar cells was fabricated using $TiO_2$ colloidal sol prepared from titanium iso-propoxide used as a starting material by applying the sol-gel method. It was characterized by particle size analyzer, XRD, FE-SEM, and BET analysis. The adsorption isotherms of dye molecule on $TiO_2$ films were obtained at three different temperatures (30, 45, $60^{\circ}C$) and at three different pH (3, 5, 7). The adsorption kinetics of dye molecule on $TiO_2$ films were obtained at three different temperatures (30, 45, $60^{\circ}C$. The adsorption experimental data were correlated with Langmuir isotherm model and pseudo-second-order model. Also the isosteric enthalpies of dye adsorption were calculated by the Clausius-Clapeyron equation. In addition, the adsorption energy distribution functions which describe heterogeneous characteristics of nanocrystalline $TiO_2$ film surface were calculated by using the generalized nonlinear regularization method. We found that efficient adsorption of N719 dye from aqueous solution onto $TiO_2$ films can be successfully achieved by dye adsorption conditions and morphology of $TiO_2$ films.

• Proceedings of the Polymer Society of Korea Conference
• /
• 2006.10a
• /
• pp.339-339
• /
• 2006

In this study, the microvoids in glassy polymers were investigated by Xe sorption and $^{129}Xe$ NMR measurements. Xe sorption isotherms of glassy polymers have been successfully interpreted by the dual-mode sorption model. $^{129}Xe$ NMR chemical shift of the $^{129}Xe$ in the samples show nonlinear low-field shift with increasing sorption amount of Xe because of a fast exchange of Xe atoms between Henry and Langmuir sites, whereas it has showed linear shift against sorption amount of Xe into the Langmuir site. From this Xe-density dependence of the $^{129}Xe$ NMR chemical shift, it has been able to estimate mean size of the microvoids in glassy polymer. It is confirmed that there is correlation between ${C_H}'$ and volume or number of microvoids. From these findings, it is demonstrated that $^{129}Xe$ NMR spectroscopy is a powerful technique to determine the mean size and number of microvoids in glassy polymers.

• Journal of Environmental Science International
• /
• v.12 no.11
• /
• pp.1173-1179
• /
• 2003

Laboratory sorption isotherm batch studies have been attempted to elucidate interaction of synthetic pyrethroids (bifenthrin and permethrin) with sediments and their fractions. As a nonlinear isothermal model, the Freundlich equation was applied to sorption results obtained from sediments to investigate the relationship between synthetic pyrethroids and sediments containing different amounts of organic carbon. Results demonstrated that the sorption capabilities of bifenthrin and cis- and trans-permethrin was in the order of bifenthrin, cis-permethrin and trans-permethrin, respectively, indicating that adsorbed bifenthrin was the most stable followed by cis- and trans-permethrin in all sediments. Their sorption capability was closely related to organic carbon contents in sediments. Higher sorption was observed in sediments containing higher organic carbon contents. Sorption study extended into the fractions, clay and humic acids, extracted from a sediment, indicated that higher sorption capacity in humic acids occurred than in the clay of both examined bifenthrin and permethrin. This study demonstrates the sorption of synthetic pyrethroids with sediments, and will help in the understanding of the transport and fate of synthetic pyrethroids existing in field sediments.

• Applied Chemistry for Engineering
• /
• v.9 no.5
• /
• pp.661-666
• /
• 1998

Liquid phase adsorption equilibria of amines in an aqueous solution onto high silica zeolite pellets (HSZ), macroreticular resin particles (MR) and granular activated carbon (GAC) were determined using a batch bottle technique at 298K. The isotherm curves of HSZ-amines and GAC-amines indicate the nonlinear relationship of unfavorable adsorption type of HSZ-amines and favourable one of GAC-amines. However the curves of MR-amines represent the linear pattern of an adsorption isotherm. Among various equilibrium isotherms, the three parameters of the Redlich-Peterson equation and the two parameters of the Freundlich equation are found to be the most satisfactory within the range of this study. The two parameters of the Langmuir isotherm were not applicable to the present adsorption systems. The amines were adsorbed on the HSZ, MR and GAC in the following sequence of adsorptivity; aromatic amines > primary amines > secondary amines. The product of the Freundlich constants, k and n, proportionally increased with the boiling point, molar volume and dissociation constants of amines adsorbed on HSZ, MR and GAC.

• Korean Chemical Engineering Research
• /
• v.59 no.4
• /
• pp.493-502
• /
• 2021

We prepared and investigated a biosynthesized nanoparticulate system with high adsorption and release capacity of letrozole. Silver nanoparticles (AgNPs) were biosynthesized using olive leaf extract. Cysteine was capped AgNPs to increase the adsorption capacity and suitable interaction between nanoparticles and drug. Morphology and size of nanoparticles were confirmed using transmission electron microscopy (TEM). Nanoparticles were spherical with an average diameter of less than 100 nm. Cysteine capping was successfully confirmed by Fourier transform infrared resonance (FTIR) spectroscopy and elemental analysis (CHN). Also, the factors of letrozole adsorption were optimized and the linear and non-linear forms of isotherms and kinetics were studied. Confirmation of the adsorption data of letrozole by cysteine capped nanoparticles in the Langmuir isotherm model indicated the homogeneous binding site of modified nanoparticles surface. Furthermore, the adsorption rate was kinetically adjusted to the pseudo-second-order model, and a high adsorption rate was observed, indicating that cysteine coated nanoparticles are a promising adsorbent for letrozole delivery. Finally, the kinetic release profile of letrozole loaded modified nanoparticles in simulated gastric and intestinal buffers was studied. Nearly 40% of letrozole was released in simulated gastric fluid with pH 1.2, in 30 min and the rest of it (60%) was released in simulated intestinal fluid with pH 7.4 in 10 h. These results indicate the efficiency of the cysteine capped AgNPs for adsorption and release of drug letrozole for breast cancer therapy.