• Title/Summary/Keyword: Gibbs' energy

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Study on Equillibrium, Kinetic, Thermodynamic Parameters for Adsorption of Brilliant Green by Zeolite (제올라이트에 의한 Brilliant Green의 흡착에 대한 평형, 동역학 및 열역학 파라미터에 관한 연구)

  • Lee, Jong Jib
    • Korean Chemical Engineering Research
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    • v.56 no.1
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    • pp.112-118
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    • 2018
  • Adsorption equilibrium, kinetic and thermodynamic parameters of a brilliant green from aqueous solutions at various initial dye concentration (10~30 mg/L), contact time (1~24 h) and temperature (298~318 K) on zeolite were studied in a batch mode operation. The equilibrium adsorption values were analyzed by Langmuir, Freundlich and Dubinin-Radushkevich model. The results indicate that Langmuir and Freundlich model provides the best correlation of the experimental data. Base on the estimated values of Langmuir dimensionless separation factor ($R_L=0.041{\sim}0.057$) and Freundlich constant (1/n=0.30~0.47), this process could be employed as effective treatment method. calculated values of adsorption energy by Dubinin-Radushkevich model were 1.564~1.857 kJ/mol corresponding to physical adsorption. The adsorption kinetics of brilliant green were best described by the pseudo second-order rate model and followed by intraparticle diffusion model. Thermodynamic parameters such as activation energy, free energy, enthalpy and entropy were calculated to estimate nature of adsorption. negative Gibbs free energy (-10.3~-11.4 kJ/mol), positive enthalpy change (49.48 kJ/mol) and Arrehenius activation energy (27.05 kJ/mol) indicates that the adsorption is spontaneous, endothermic and physical adsorption process, respectively.

Thermodynamics of Hydrogen-Induced Phase Separation on Pd-Co Alloys (수소유기에 따른 Pd-Co합금들의 상 분리 현상에 대한 열역학적 고찰)

  • Song, D.M.;Park, C.N.;Choi, J.
    • Journal of Hydrogen and New Energy
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    • v.16 no.3
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    • pp.244-252
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    • 2005
  • It is very interesting and important in the academic point of view and in practical use the hydrogen-induced phase separation(HIPS) which appears during hydrogen heat treatment. Since hydrogen can be removed very fast by pumping it out the hydrogen-induced new lattice phase which can not be obtained without hydrogen can be preserved as meta-stable state. In this study it has been investigated whether the HIPS appear in Pd-Al, Pd-Co, Pd-Cr, Pd-Ti, Pd-V and Pd-Zr alloys and discussed thermodynamic representation of the HIPS. The Pd alloys were arc-melted under argon atmosphere and remelted 4 or 5 times for homogenization. The alloys were annealed at 600$^{\circ}C$ under vacuum for 24 hrs and then subjected to pressure-composition isotherm measurements at 100$^{\circ}C$. The hydrogen heat treatment(HHT) of samples was carried out at 600$^{\circ}C$ under hydrogen pressure of 70 bar for 6 days and PC isotherms at 100$^{\circ}C$ were measured. By comparing the PC isotherms measured before and after HHT, occurrence of phase separation was determined. The experimental results showed that the HIPS appeared only in Pd-0.05Co alloy. For Pd-Co alloys with various composition the PC isotherms were measured. By adopting Park-Flanagan model for ternary thermodynamics the Gibbs free energy change for Pd-Co-H solid solution was calculated and subsequently with this the HIPS in Pd-Co alloy was explained fairly.

Equilibrium, Kinetics and Thermodynamic Parameters Studies on Metanil Yellow Dye Adsorption by Granular Activated Carbon (입상활성탄에 의한 메타닐 옐로우 염료의 흡착에 대한 평형, 동력학 및 열역학 파라미터에 관한 연구)

  • Lee, Jong-Jib
    • Applied Chemistry for Engineering
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    • v.25 no.1
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    • pp.96-102
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    • 2014
  • Adsorption of metanil yellow onto granular activated carbon were studied in a batch system. Various operation parameters such as adsorbent dosage, pH, initial concentration, contact time and temperature were optimized. Experimental equilibrium adsorption data were analyzed by Langmuir and Freundlich adsorption isotherm. The equilibrium process was described well by Freundlich isotherm model. From determined separation factor (1/n), adsorption of metanil yellow by granular activated carbon could be employed as effective treatment method. By analysis of kinetic experimental data, the adsorption process were found to confirm to the pseudo second order model with good correlation and the adsorption rate constant ($k^2$) decreased with increasing initial concentration. Thermodynamic parameters like activation energy, change of free energy, enthalpy, and entropy were also calculated to predict the nature adsorption in the temperature range of 298~318 K. The activation energy was determined as 23.90 kJ/mol. It was found that the adsortpion of metanil yellow on the granular activated carbon was physical process. The negative Gibbs free energy change (${\Delta}G=-2.16{\sim}-6.55kJ/mol$) and the positive enthalpy change (${\Delta}H=+23.29kJ/mol$) indicated the spontaneous and endothermic nature of the adsorption process, respectively.

Solid-salt pressure-retarded osmosis with exothermic dissolution energy for sustainable electricity production

  • Choi, Wook;Bae, Harim;Ingole, Pravin G.;Lee, Hyung Keun;Kwak, Sung Jo;Jeong, Nam Jo;Park, Soon-Chul;Kim, Jong Hak;Lee, Jonghwi;Park, Chul Ho
    • Membrane and Water Treatment
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    • v.6 no.2
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    • pp.113-126
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    • 2015
  • Salinity gradient power (SGP) systems have strong potential to generate sustainable clean electricity for 24 hours. Here, we introduce a solid-salt pressure-retarded osmosis (PRO) system using crystal salt powders rather than seawater. Solid salts have advantages such as a small storage volume, controllable solubility, high Gibbs dissolution energy, and a single type of water intake, low pretreatment costs. The power densities with 3 M draw solutions were $11W/m^2$ with exothermic energy and $8.9W/m^2$ without at 35 bar using a HTI FO membrane (water permeability $A=0.375L\;m^{-2}h^{-1}bar^{-1}$). These empirical power densities are ~13% of the theoretical value.

Thermodynamic Assessment of the PbO-ZrO2 System

  • Koo, Bon-Keup;Ping Liang;Hans Jiirgen Seifert;Fritz Aldinger
    • The Korean Journal of Ceramics
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    • v.5 no.3
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    • pp.205-210
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    • 1999
  • The thermodynamic properties and phase diagram of the$ PbO-ZrO_2$ system have been critically assessed using the Thermo-Calc program. Excess Gibbs energies were expressed by Redlich-Kister polynomials for the solid phases, by the two-sublattice ionic liquid model for the liquid phase and by the compound energy model for the solid solution phase. All solid phases were treated as stoichimetric compounds.

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Voltammetric Studies of Anion Transfer Reactions Across a Microhole Array-Water/PVC-NPOE Gel Interface

  • Hossain, Md. Mokarrom;Girault, Hubert H.;Lee, Hye-Jin
    • Bulletin of the Korean Chemical Society
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    • v.33 no.5
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    • pp.1734-1740
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    • 2012
  • Voltammetric characterization of hydrophilic anion transfer processes across a 66 microhole array interface between the water and polyvinylchloride-2-nitrophenyloctylether gel layer is demonstrated. Since the transfer of hydrophilic anions including $Br^-$, $NO_3{^-}$, $I^-$, $SCN^-$ and $ClO_4{^-}$ across the liquid/gel interface usually sets the potential window within a negative potential region, a highly hydrophobic organic electrolyte, tetraoctylammonium tetrakis(pentafluorophenyl)borate, providing a wider potential window was incorporated into the gel phase. The transfer reaction of perchlorate anions across the microhole-water/gel interface was first studied using cyclic voltammetry and differential pulse voltammetry. The full voltammetric response of perchlorate anion transfer was then used as a reference for evaluating the half-wave transfer potentials, the formal transfer potentials and the formal Gibbs transfer energies of more hydrophilic anions such as $Br^-$, $NO_3{^-}$, $I^-$, and $SCN^-$. The current response associated with the perchlorate anion transfer across the micro-water/gel interface versus the perchlorate concentration was also demonstrated for sensing applications.

mPW1PW91 Calculated and Experimental UV/IR Spectra of Unsymmetrical trans-Stilbenes

  • Choe, Jong-In;Park, Seong-Jun;Cho, Chul-Hee;Kim, Chul-Bae;Park, Kwang-Yong
    • Bulletin of the Korean Chemical Society
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    • v.31 no.8
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    • pp.2175-2179
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    • 2010
  • Quantum mechanical properties of unsymmetrical and unfunctionalized trans-stilbene derivatives 1-3, which had been prepared by solid-phase parallel syntheses, were characterized using mPW1PW91/6-311G(d,p) (hybrid HF-DF) calculations. The total electronic energies, normal vibrational modes, Gibbs free energies, and HOMOs and LUMOs of sixteen different structures from three different groups were analyzed. The energy differences between the HOMOs and LUMOs of the various unsymmetrical trans-stilbenes are in accord with the maximum absorption peaks of the experimental UV spectra of 1-3. The calculated normal vibrational modes of 21 were comparable with its experimental IR spectrum. The $\pi$-conjugation in the para-connected biphenyl group of 2 is better than the one in the metaconnected biphenyl group on the shorter side of 3.

Analysis of Thermodynamics for Formation of Single Phase in $Bi_2Sr_2Ca_nCu_{n+1}O_x$ Thin Films ($Bi_2Sr_2Ca_nCu_{n+1}O_x$ 박막의 단상 형성을 위한 열역학 해석)

  • Cheon, Min-Woo;Park, Yong-Pil;Kim, Jeong-Ho
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2003.07b
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    • pp.1208-1211
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    • 2003
  • High quality $Bi_2Sr_2Ca_nCu_{n+1}O_x$ superconducting thin films fabricated by using the evaporation method at various substrate temperatures, $T_{sub}$, and ozone gas pressures, $pO_3$. The correlation diagrams of the $Bi_2Sr_2Ca_nCu_{n+1}O_x$ phases with $T_{sub}$ and $pO_3$ are established in the 2212 and 2223 compositional films. In spite of 2212 compositional sputtering, Bi2201 and Bi2223 as well as Bi2212 phases come out as stable phases depending on $T_{sub}$ and $pO_3$. From these results, the thermodynamic evaluation of ${\Delta}H$ and ${\Delta}S$, which are related with Gibbs' free energy change for single Bi2212 or Bi2223 phase, was performed.

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Vapor-Liquid Equilibria for the Systems of MTBE-Methanol, MTBE-n-Heptane, n-Heptane-Methanol by Using Head Space Gas Chromatography (Head Space Gas Chromatography를 이용한 MTBE-Methanol, MTBE-n-Heptane, n-Heptane-Methanol계의 기액평형)

  • Lee, Ju-Dong;Lee, Tae-Jong;Park, So-Jin
    • Applied Chemistry for Engineering
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    • v.5 no.4
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    • pp.706-713
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    • 1994
  • Isothermal vapor-Liquid equilibrium data have been measured for binary systems MTBE-methanol, MTBE-n-heptane, and methanol-n-heptane at $45^{\circ}C$ and $65^{\circ}C$ by using head space gas chromato-graphy (H.S.G.C). Among these systems a minimum azeotrope was observed in both of MTBE-methanol system and n-heptane-methanol system. Particularly n-heptane-methanol system has a heterogeneous minimum azotrope since it has an immisible region. These equilibrium data were correlated with the excess Gibbs energy model, and the thermodynamic consistency test was also carried out by using Redlich-Kister equation.

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A Theory of Specific Heat Discontinuity of the Superconducting Crystals by Using the Linear Model for Critical Magnetic Field (임계 자기장 선형 모델을 이용한 초전도 결정의 비열 불연속성 이론)

  • Kim, Cheol-Ho
    • The Journal of the Korea institute of electronic communication sciences
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    • v.13 no.1
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    • pp.23-28
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    • 2018
  • We derive a gap of specific heat discontinuity of superconducting crystals theoretically at the critical temperature $T_{CH}$ as an explicit function of applied magnetic field H by using the thermodynamic relations for Gibbs free energy and the linear model for the critical magnetic field $H_{CT}$. The derived a gap of specific heat discontinuity is compared with experimental results by J. Kacmarcik et al. for superconducting MgCNi3 crystal. Our specific heat gap function well explain the jump up phenomena of the superconducting crystals.