• 제목/요약/키워드: Chemical Equilibrium Analysis

검색결과 227건 처리시간 0.026초

용출곡선법과 Frontal Analysis를 이용한 Langmuir 흡착평형식의 측정 (Measurement of Langmuir Adsorption Equilibrium by Elution-curve Method and Frontal Analysis)

  • 최용석;이종호;노경호
    • 공업화학
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    • 제10권5호
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    • pp.672-676
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    • 1999
  • 흡착을 이용한 분리공정에서 가장 기본적인 것은 흡착평형식이다. 본 연구에서는 용출곡선법과 frontal analysis(FA)을 사용하여 용출곡선에서 직접 흡착평형식을 구하였다. 역상 액체 크로마토그래피(RP-HPLC)에서 시료는 5'-GMP이고 buffer로서 sodium phosphate를 물에 첨가하여 이동상으로 사용하였다. 이 실험조건에서는 시료의 양이 증가함에 따라서 체류시간이 감소하고 피크의 앞부분이 매우 경사가 심한 Langmuir 흡착평형식이 되었다. 용출곡선을 이용한 방법을 이용하여 Langmuir 흡착평형식의 매개변수를 최적화하여 구하였고 FA 방법을 이용하여 고정상의 농도를 용출곡선으로부터 측정하고 회귀분석에 의하여 흡착평형식을 측정하였다. FA 방법에 비해서 용출곡선법은 시료의 양이 적게 소모되고 실험 횟수도 1-2번 정도로 간편하였다. 이동상에 포함된 sodium phosphate의 농도에 따라서 Langmuir 흡착평형식의 매개변수에 미치는 영향을 고찰하였다.

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양이온교환 고성능액체크로마토그래피에서 라이소자임의 모멘트 분석 (Moment Analysis (MA) of Lysozyme in Cation Exchange High Performance Liquid Chromatography (HPLC))

  • 고관영;김인호
    • Korean Chemical Engineering Research
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    • 제54권4호
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    • pp.487-493
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    • 2016
  • 양이온교환 고성능액체크로마토그래피에서 라이소자임을 분석하고, 실험결과인 크로마토그램을 통해 모멘트 분석을 수행하였다. 용리 인산완충용액은 1.0, 0.75, 0.5 M의 소금을 포함하였다. 실험변수는 유량, 용리 완충용액중 소금 농도, 시료의 농도로 하였다. General rate (GR) model을 도입하여 1차와 2차 모멘트를 해석하였다. 1차 모멘트 해석에서 평형상수 K를 구할 수 있으며, 이는 $L/u_0$ vs. $({\mu}_1-t_0)/(1-{\varepsilon}_e)(1-{\varepsilon}_i)$]를 도식화했을 때의 기울기이다. 2차 모멘트 해석에서 입자내 확산계수는 이론단수 실험자료에서 계산하였다. 모멘트 분석결과를 통해 여러 물질전달 현상이 이론단 상당높이(HETP)에 주는 영향을 알아보기 위해 van Deemter plot을 작성하고, 총괄 이론단 상당높이($H_{total}$)에 기여하는 $H_{ax}$, $H_f$, 그리고 $H_d$를 조사하였다. 그 중 입자내 확산계수를 나타내는 $H_d$가 가장 지배적이었고, 외부 물질전달 계수를 나타내는 $H_f$의 영향이 가장 미미했다.

수치해석을 이용한 수증기 개질 반응기의 다양한 경계조건 및 형상의 영향 (Effect of various boundary conditions and geometries in steam reformer using numerical analysis)

  • 박준근;이신구;임성광;배중면
    • 한국신재생에너지학회:학술대회논문집
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    • 한국신재생에너지학회 2007년도 춘계학술대회
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    • pp.41-44
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    • 2007
  • Steam reforming reaction of natural gas is an important process for fuelcell commercialization. In this paper, steam reforming reaction is studied by numerical method. Pseudo-homogeneous model is incorporated for chemical reactions and one medium approach is used to take into account thermally equilibrium phenomena between catalyst and bulk gas. The model is validated with our experimental results under the same operating conditions. Because performance of reformer has relation to heat flux from wall, heat flux profiles was investigated by using Nusselt number. Value of Nusselt number in steam reformer is larger than one in channel, which does not have chemical reaction because steam reforming reaction is an endothermic reaction. When the difference of Nusselt number at the front and the rear is larger, performance is improved.

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Chemically Modified Submicron Silica Particulate Extractants for Preconcentration of Mercury(II)

  • Kaur, Anupreet;Gupta, Usha
    • Bulletin of the Korean Chemical Society
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    • 제29권10호
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    • pp.1932-1936
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    • 2008
  • A new analytical method using 1-(2-pyridylazo)-2-naphthol modified $SiO_2$ nanoparticles as solid-phase extractant has been developed for the preconcentration of trace amounts of mercury(II) in different water samples. Conditions of the analysis such as preconcentration time, effect of pH, sample volumes, shaking time, elution conditions and effects of interfering ions for the recovery of analyte were investigated. The adsorption capacity of nanometer $SiO_2$-PAN was found to be 260 ${\mu}molg^{-1}$ at optimum pH and the detection limit (3$\sigma$) was 0.48 ${\mu}gL^{-1}$. The extractant showed rapid kinetic sorption. The adsorption equilibrium of mercury(II) on nanometer $SiO_2$-PAN was achieved just in 5 mins. Adsorbed mercury(II) was easily eluted with 5 mL of 6 M hydrochloric acid. The maximum preconcentration factor was 50. The method was applied for the determination of trace amounts of mercury(II) in various water samples and industrial effluents.

Hyperpolarization: Sensitivity Boost in Magnetic Resonance Spectroscopy and Imaging

  • Ko, Hyeji;Gong, Gyeonghyeon;Jeong, Gijin;Choi, Ikjang;Seo, Hyeonglim;Lee, Youngbok
    • 한국자기공명학회논문지
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    • 제19권3호
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    • pp.124-131
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    • 2015
  • Hyperpolarization methods are the most emerging techniques in the field of magnetic resonance (MR) researches since they make a contribution to overcoming sensitivity limitation of MR spectroscopy and imaging, leading to new fields of researches, real-time in vivo metabolic/molecular imaging and MR analysis of chemical/biological reactions in non-equilibrium conditions. Make use of enormous signal enrichments, it becomes feasible to investigate various chemical and biochemical systems with low ${\gamma}$ nuclei in real-time. This review deals with the theoretical principals of common hyperpolarization methods and their experimental features. In addition, more detailed theories, mechanisms, and applications of dissolution dynamic nuclear polarization (D-DNP) are discussed.

Decarbonylation of the 2-Hydroxypyridine Radical Cation: A Computational Study

  • Choe, Joong Chul
    • Bulletin of the Korean Chemical Society
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    • 제35권10호
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    • pp.3021-3024
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    • 2014
  • The potential energy surface (PES) for the dissociation of the 2-hydroxypyridine (2-HP) radical cation was determined from G3//B3LYP calculations, including the loss of CO, HCN, and HNC. The formation of the 1H-pyrrole radical cation by decarbonylation through a more stable tautomer, the 2-pyridone (2-PY) radical cation, was the most favorable dissociation pathway. Kinetic analysis by the Rice-Ramsperger-Kassel-Marcus model calculations was carried out based on the obtained PES. It is proposed that the dissociation occurs after a rapid tautomerization to 2-$PY^{{\cdot}+}$, and that most of the ions generated by ionization of 2-HP have the structure of 2-$PY^{{\cdot}+}$ at equilibrium above the tautomerization barrier.

Thermodynamic Elucidation of Binding Isotherms for Hemoglobin & Globin of Human and Bovine upon Interaction with Dodecyl Trimethyl Ammonium Bromide

  • Bordbar, A.K.;Nasehzadeh, A.;Ajloo, D.;Omidiyan, K.;Naghibi, H.;Mehrabi, M.;Khajehpour, H.;Rezaei-Tavirani, M.;Moosavi-Movahedi, A.A.
    • Bulletin of the Korean Chemical Society
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    • 제23권8호
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    • pp.1073-1077
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    • 2002
  • Binding of dodecyl trimethylammonium bromide (DTAB) to human and bovine hemoglobin and globin samples has been investigated in 50 mM glycine buffer pH = 10, I = 0.0318 and 300 K by equilibrium dialysis and temperature scanning spectrophotometry techniques and method for calculation of average hydrophobicity. The binding data has been analyzed, in terms of binding capacity concept $({\theta})$, Hill coefficient (nH) and intrinsic Gibbs free energy of binding $({\Delta}Gbv).$ The results of binding data, melting point (Tm) and average hydrophobicity show that human hemoglobin has more structural stability than bovine hemoglobin sample. Moreover the results of binding data analysis represent the systems with two and one sets of binding sites for hemoglobin and globin, respectively. It seems that the destabilization of hemoglobin structure due to removal of heme group, is responsible of such behavior. The results indicating the removal of heme group from hemoglobin caused the depletion of first binding set as an electrostatic site upon interaction with DTAB and exposing the hydrophobic patches for protein.

Solvent Extraction of Ni(II) from Strong Hydrochloric Acid Solution by Alamine336

  • Lee, Man-Seung;Nam, Sang-Ho
    • Bulletin of the Korean Chemical Society
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    • 제32권1호
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    • pp.113-116
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    • 2011
  • Slope analysis method was applied to determine the stoichiometry of the solvent extraction reaction of Ni(II) by Alamine336 from strong HCl solution range from 1 to 10 M. Solvent extraction data was obtained from the literature. The effective equilibrium constant for the solvent extraction reaction was estimated by considering the ionic equilibria of $NiCl_2$ in the HCl solution. The measured distribution coefficients of Ni(II) agreed well with those calculated in this study. Our results suggest that further study on the measurement of the activities of nickel complexes at high HCl solution need to be done.

Determination of Reactivity by MO Theory (ⅩⅧ). An Intermolecular Perturbation Study of the Acid-Catalyzed Hydrolysis of Diformamide$^*$

  • Kwun, Oh-Cheun
    • Bulletin of the Korean Chemical Society
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    • 제1권3호
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    • pp.109-112
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    • 1980
  • Ultraviolet spectrophotometric investigations were carried out on monoalkylbenzene-iodine systems in carbon tetrachloride. The results reveal the formation of one-to-one molecular complexes. On the basis of the equilibrium constants for these complexes of representative monosubstituted benzenes, the following order of increasing stability is obtained: i-propyl- ${\Delta}$H, ${\Delta}$G and ${\Delta}$S for the interaction of a number of monoalkyl substituted benzenes with iodine have been determined. In general, it can be said that as ${\Delta}$H becomes increasingly negative, corresponding decreases in the ${\Delta}$G and the ${\Delta}$S values are observed, and these variations are linear. The thermodynamic constants become increasingly negative with increasing monoalkyl substitution of the aromatic donor nucleus. The complex bond is therefore weak, and its formation is accompanied by relatively small entropy changes. Thus, analysis of these findings is discussed.

Three Binding Sets Analysis of $\alpha$-Lactalbumin by Interaction of Tetradecy Trimethyl Ammonium Bromude

  • M.R.Housainfokht
    • Bulletin of the Korean Chemical Society
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    • 제22권2호
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    • pp.145-148
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    • 2001
  • The interaction between tetradecyl trimethyl ammonium bromide (TTAB) with bovine ${\alpha}-lactalbumin$ has been investigated at pH = 9 and at $37^{\circ}C$ by isothermal titration calorimetry, equilibrium dialysis and UV-Vis spectrophotometry methods. The binding data from unusual Scatchard plot have been analyzed in terms of the Hill equation for three sets of binding sites. The calorimetric data show that TTAB interacts endothermically with ${\alpha}-lactalbumin$ and causes protein unfolding below 2 mM concentration of TTAB, which is confirmed by spectrophotometric data. The unfolding of the protein would be mainly due to occupation of the second set of binding sites.