• Title/Summary/Keyword: Chemical equilibrium analysis

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

  • Choi, Yong Seok;Lee, Chong Ho;Row, Kyung Ho
    • Applied Chemistry for Engineering
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    • v.10 no.5
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    • pp.672-676
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    • 1999
  • Adsorption isotherm is the most fundamental information in adsorption separation-process. Directly from the elution profile of a peak, the elution-curve method and frontal analysis(FA) were utilized to measure the adsorption isotherm in this work. Using RP-HPLC, sample and the buffer added in mobile phase were 5'-GMP and sodium phosphate, respectively. In this experimental condition, the retention time was decreased with increase in the injected mass of sample. And the front part of a peak was very stiff, so Langmuir adsorption isotherm might be applied. By the elution-curve method, the parameters used in the isotherm were obtained by optimization method, while by the FA, the concentrations of stationary phase were measured from the elution curve and the isotherm was determined by regression analysis. Compared to FA, the consumption of sample was less, and only one or two injections were needed by the elution-curve method. Finally, the effect of concentration of sodium phosphate in mobile phase on the parameters of the isotherm was investigated.

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

  • Ko, Kwan Young;Kim, In Ho
    • Korean Chemical Engineering Research
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    • v.54 no.4
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    • pp.487-493
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    • 2016
  • The moment analysis of lysozyme was implemented using chromatograms that were obtained from weak cation exchange column in high performance liquid chromatography system. Three elution sodium phosphate buffers containing 1.0, 0.75, 0.5M sodium chloride were used. Experiments were conducted by varying flow rate, elution sodium chloride concentration, and lysozyme solute concentration. The general rate (GR) model was employed to calculate the first moment and the second moment. By plotting $L/u_0$ vs. $({\mu}_1-t_0)/(1-{\varepsilon}_e)(1-{\varepsilon}_i)$] equilibrium constants (K) were obtained from first moment analysis. Intra-particle diffusivity was obtained from theoretical plate number data. Based on the results of moment analysis, van Deemter plots were drawn in order to investigate the contributions of $H_{ax}$, $H_f$, and $H_d$ to total Height Equivalent to a Theoretical Plate (HETP, $H_{total}$). The effect of intra-particle diffusion ($H_d$) was the most dominant factor contributing to HETP while external mass transfer ($H_f$) was negligible factor.

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

  • Park, Joon-Guen;Lee, Shin-Ku;Lim, Sung-Kwang;Bae, Joong-Myeon
    • 한국신재생에너지학회:학술대회논문집
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    • 2007.06a
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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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    • v.29 no.10
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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
    • Journal of the Korean Magnetic Resonance Society
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    • v.19 no.3
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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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    • v.35 no.10
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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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    • v.23 no.8
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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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    • v.32 no.1
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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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    • v.1 no.3
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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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    • v.22 no.2
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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.