• 한국지반환경공학회 논문집
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• 제7권1호
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• pp.41-53
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• 2006

본 연구에서는 아연 및 카드뮴을 대상으로 수행된 흡착실험과 칼럼확산실험 결과를 바탕으로 유전자 알고리즘을 이용한 최적화 과정을 통하여 비선형 흡착 모델 및 이류-확산 모델식의 파라미터들을 추정하여 보았다. 수행결과 비선형 흡착 식 (Langmuir 흡착모델과 Freundlich 흡착모델) 들의 모델파라미터 추정은 이들 흡착식 들의 선형화 과정을 거쳐 얻어진 파라미터들과 거의 일치하는 결과를 얻을 수 있었다. 오염물질의 이동 해석을 위해 수행된 이류-확산 모델의 유한요소해석과 모델 파라미터 추정을 위해 수행된 최적화 과정을 통해 얻은 아연과 카드뮴의 확산계수는 선형 분배계수를 이용할 경우 두 금속 모두에서 약 $10^{-7}cm^2/s$ 차원의 확산계수를 얻을 수 있었다. 또한 비선형 흡착 모델로부터 얻어진 지연인자를 이용할 경우 두 금속 모두에서 $10^{-6}{\sim}10^{-5}cm^2/s$ 범위의 확산계수 값을 얻을 수 있었다. 결론적으로 유전자 알고리즘을 이용한 최적화 과정을 통한 비선형 흡착식 및 이류-확산 모델의 파라미터 추정은 성공적으로 수행될 수 있었고, 실측값과 최적화 과정을 거쳐 예측된 값 사이의 상관계수는 0.9 이상으로 높은 상관성을 보이는 것으로 나타났다.

• Bulletin of the Korean Chemical Society
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• 제29권8호
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• pp.1549-1553
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• 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.

• 한국지하수토양환경학회지:지하수토양환경
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• 제27권6호
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• pp.11-21
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• 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.

• 한국수소및신에너지학회논문집
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• 제16권4호
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• pp.307-314
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• 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
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• 제46권4호
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• pp.681-685
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• 2008

Kromasil KR100-5CHI-TBB 칼럼을 사용하여 라세미 mandelic acid를 분리하였다. 분리도(resolution), 이론단수(number of theoretical plates), 용량인자(capacity factor)와 같은 크로마토그라피 변수들을 이동상의 조성(hexane/t-BME = 85/15 - 10/90)과 포름산 농도(0.1, 0.5, 1.0 v/v%)를 변화시켜 실험하여 계산하였다. 칼럼의 효율을 평가하기 위해 유속 대 이론단수를 비교하였다. 등온흡착식을 계산하기 위해 PIM(Pulse Input Method)을 사용하였고, mandelic acid의 농도가 0.1에서 0.3 mg/ml 사이일 때 L-과 D-mandelic acid가 각각 8.8분과 9.4분의 체류시간을 보였다. Mandelic acid의 등온흡착식은 0.3 mg/ml의 농도이하와 이동상 조성(hexane/t-BME = 75/25)에서 선형이었다. Mandelic acid의 농도가 증가할수록 mandelic acid는 비선형 거동을 보였고, Langmuir 등온흡착식은 L-과 D-mandelic acid의 경우 각각 $C_{S,L}=3.358C_{M,L}/(1+0.0897C_{M,L})$, $C_{S,D}=3.692C_{M,D}/(1+0.1457C_{M,D})$이었다.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2010년도 추계학술대회 초록집
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• pp.60.2-60.2
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• 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.

• 한국고분자학회:학술대회논문집
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• 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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• pp.339-339
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• 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.

• 한국환경과학회지
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• 제12권11호
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• pp.1173-1179
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• 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.

• 공업화학
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• 제9권5호
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• pp.661-666
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• 1998

고시리카제올라이트 (HSZ), 거대망상수지입자(MR) 및 입상활성탄(GAC)에 의한 수용액중의 12가지 아민유도체의 평형흡착 실험 데이터와 Freundlich, Langmuir, Toth, Redlich-Peterson 식의 인자들을 각각 구하였다. 아민류의 흡착특징에 있어서는 고시리카제올라이트는 unfavourable, 입상활성탄은 favourable로 비선형이나, 거대망상수지흡착제는 선형관계의 특성을 나타내며, 변수가 2개인 Freundlich 식과 3개인 Redlich-Peterson 흡착등온식에 잘 일치하였다. HSZ, MR, GAC에 의한 아민류의 흡착능은 방향족>1급아민>2급아민 순이었으며, Freundlich상수 k와 n의 곱인 (k n)값은 HSZ와 MR 및 GAC에서 아민류의 끓는 점 $T_B$, 몰부피 $V_m$, 그리고 해리상수 $pK_a$에 비례하여 증가하였다.

• Korean Chemical Engineering Research
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• 제59권4호
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• pp.493-502
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• 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.