• Title/Summary/Keyword: Chemical equilibrium analysis

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Water and oxygen permeation through transparent ethylene vinyl alcohol/(graphene oxide) membranes

  • Kim, Hye Min;Lee, Heon Sang
    • Carbon letters
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    • v.15 no.1
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    • pp.50-56
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    • 2014
  • We prepared ethylene vinyl alcohol (EVOH)/graphene oxide (GO) membranes by solution casting method. X-ray diffraction analysis showed that GOs were fully exfoliated in the EVOH/GO membrane. The glass transition temperatures of EVOH were increased by adding GOs into EVOH. The melting temperatures of EVOH/GO composites were decreased by adding GOs into EVOH, indicating that GOs may inhibit the crystallization of EVOH during non-isothermal crystallization. However, the equilibrium melting temperatures of EVOH were not changed by adding GOs into EVOH. The oxygen permeability of the EVOH/GO (0.3 wt%) film was reduced to 63% of that of pure EVOH film, with 84% light transmittance at 550 nm. The EVOH/GO membranes exhibited 100 times better (water vapor)/(oxygen) selectivity performance than pure EVOH membrane.

It is surface gravity

  • Lee, Jae-Woo
    • The Bulletin of The Korean Astronomical Society
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    • v.41 no.1
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    • pp.77.3-77.3
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    • 2016
  • In our previous study, we showed that the peculiar globular cluster M22 contains two distinct stellar populations with different physical properties, having different chemical compositions, spatial distributions and kinematics. We proposed that M22 is most likely formed via a merger of two GCs with heterogeneous metallicities in a dwarf galaxy environment and accreted later to our Galaxy. In their recent study, Mucciarelli et al. claimed that M22 is a normal mono-metallic globular cluster without any perceptible metallicity spread among the two groups of stars, which challenges our results and those of others. We devise new strategies for the local thermodynamic equilibrium abundance analysis of red giant branch stars in globuar clusters and show there exists a spread in the iron abundance distribution in M22.

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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.

Study on Adsorption Equilibrium, Kinetic and Thermodynamic Parameters of Murexide by Activated Carbon (입상 활성탄에 의한 Murexide의 흡착 평형, 동력학 및 열역학 파라미터에 관한 연구)

  • Lee, Jong-Jib
    • Clean Technology
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    • v.25 no.1
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    • pp.56-62
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    • 2019
  • The equilibrium, kinetic and thermodynamic parameters of adsorption of murexide by granular activated carbon were investigated. The experiment was carried out by batch experiment with the variables of the amount of the adsorbent, the initial concentration of the dye, the contact time and the temperature. The isothermal adsorption equilibrium was best applied to the Freundlich equation in the range of 293 ~ 313 K. From the separation factor (${\beta}$) of Freundlich equation, it was found that adsorption of murexide by granular activated carbon could be the appropriate treatment method. The adsorption energy (E) obtained from the Dubinin- Radushkevich equation shows that the adsorption process is a physical adsorption process. From the kinetic analysis of the adsorption process, pseudo second order model is more consistent than pseudo first order model. It was found that the adsorption process proceeded to a spontaneous process and an endothermic process through Gibbs free energy change ($-0.1096{\sim}-10.5348kJ\;mol^{-1}$) and enthalpy change ($+151.29kJ\;mol^{-1}$). In addition, since the Gibbs free energy change decreased with increasing temperature, adsorption reaction of murexide by granular activated carbon increased spontaneously with increasing temperature. The entropy change ($147.62J\;mol^{-1}\;K^{-1}$) represented the increasing of randomness at the solid-solution interface during the adsorption reaction of murexide by activated carbon.

Numerical Analysis of Integrated Fuel Processing System Considering Thermo-Chemical Energy Balance (열/화학적 에너지 평형을 고려한 통합 연료 개질 시스템의 수치적 연구)

  • Noh, Junghun;Jung, Hye-Mi;Jung, Un-Ho;Yoon, Wang-Lai;Um, Sukkee
    • 한국신재생에너지학회:학술대회논문집
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    • 2010.11a
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    • pp.111.1-111.1
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    • 2010
  • This paper focuses on a systematic configuration of steam reforming fuel processor, particularly designed for small and medium sized hydrogen production application. In a typical integration of the fuel processor, there exist significant temperature gradients over the entire system which has negative effect on both catalyst life-time and system performance. Also, the volumetric inefficiency should be avoided to obtain the possible compactness for the commercial purpose. In the present work, the computational analysis will be performed to gain the fundamental insight on the transport phenomena and chemical reactions in the reformer consisting of preheating, steam reforming (SR), and water gas shift (WGS) reaction beds in the flow direction. Also, the fuel processing system includes a top-fired burner providing necessary thermal energy for endothermic catalytic reactor. A fully two-dimensional numerical modeling for a integrated fuel processing system is introduced for in-depth analysis of the heat and mass transport phenomena based on surface kinetics and catalytic process. In the model, water gas shift reaction and decomposition reaction were assumed to be at equilibrium. A kinetic model was developed and then computational results were compared with the experimental data available in the literature. Finally, the case study was done by considering the key parameters, i.e. steam to carbon (S/C) ratio and temperature. The computer-aided models developed in this study can be greatly utilized for the design of advanced fast-paced compact fuel processors research.

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Theoretical Analysis on Molecular Magnetic Properties of N-Confused Porphyrins and Its Derivatives

  • Wei, Wei;Bai, Fu-Quan;Xia, Bao-Hui;Zhang, Hong-Xing
    • Bulletin of the Korean Chemical Society
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    • v.33 no.9
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    • pp.2937-2942
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    • 2012
  • We have theoretically investigated the magnetic properties of N-confused porphyrin (NCP), tetraphenyl-N-confused porphyrin (TPNCP) and their substituted derivatives with O, S and Se heteroatoms (2ONCP, 2STPNCP, 2SeNCP, 2OTPNCP, etc.) by using DFT method. In the minimum energy structures of the 2OTPNCP, the two couples opposite phenyl substitutes are staggered. In the case of TPNCP, 2STPNCP and 2SeTPNCP, two phenyls being respectively close to or opposite to N-confused pyrrole are found to be pointed the same direction, whilst others are in the opposite direction. Based on the equilibrium structures, the $^1H$ chemical shifts and nucleus-independent chemical shifts (NICS) are calculated in this paper. The ${\pi}$ current density being induced by the tridimensional perpendicular magnetic field transmits the inner section of the pyrrole segments for NCP and TPNCP. As for their substituted derivatives with O, S and Se atoms, the current path passes through the outer section of the two heterorings. The NICS values at the ring critical points of the heterorings are much lower (in absolute value) than those of which is at the center of an isolated pyrrole molecule. The $^1H$ NMR for ${\beta}H$ atoms of the heterorings decreases from O, S to with Se.

Numerical Modeling of Hydrazine-Fueled Arcjet Thruster (하이드라진(N2H4) 아크젯 추력기의 수치적 모델링)

  • Shin, Jae-Ryul;Lee, Dae-Sung;Oh, Se-Jong;Choi, J.-Y.
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.36 no.9
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    • pp.907-915
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    • 2008
  • The computational fluid dynamic analysis has been conducted for the thermo-chemical flow field in an arcjet thruster with mono-propellant Hydrazine (N2H4) as a working fluid. The Reynolds Averaged Navier-Stokes (RANS) equations are modified to analyze compressible flows with the thermal radiation and electric field. the Maxwell equation, which is loosely coupled with the fluid dynamic equations through the Ohm heating and Lorentz forces, is adopted to analyze the electric field induced by the electric arc. The chemical reactions of Hydrazine were assumed to be infinitely fast due to the high temperature field inside the arcjet thruster. The chemical and the thermal radiation models for the nitrogen-hydrogen mixture and optical thick media respectively, were incorporated with the fluid dynamic equations. The results show that performance indices of the arcjet thruster with 1kW arc heating are improved by amount of 180% in thrust and 200% in specific impulse more than frozen flow. In addition thermo-physical process inside the arcjet thruster is understood from the flow field results.

Application of Thermal Plasma for Production of Hydrogen and Carbon Black from Direct Decomposition of Hydrocarbon (탄화수소의 직접분해로부터 수소와 카본블랙을 생성하기 위한 열플라즈마의 응용)

  • Lee, Tae-Uk;Nam, Won-Ki;Baeck, Sung-Hyeon;Park, Dong-Wha
    • Applied Chemistry for Engineering
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    • v.18 no.1
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    • pp.84-89
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    • 2007
  • Direct decomposition of hydrocarbon (methane, propane) was studied using a thermal plasma to produce high purity hydrogen and carbon black. Thermodynamic equilibrium compositions were calculated based on the minimization of Gibb's free energy, and decomposition experiments were performed on the basis of calculation results. The purity of hydrogen was found to be depended strongly on the flow rate of hydrocarbon. The decomposition conditions for high purity hydrogen were investigated. The purity of hydrogen produced from methane decomposition was higher than that from propane. In the case of propane, it was investigated that by products such as methane, acetylene, and ethane etc., by radical recombination under thermal plasma were produced more than that of methane. Produced carbon blacks were characterized by material analyses, such as XRD, Raman spectroscopy, SEM, and particle size analysis. In both methane and propane decompositions, well-crystallized carbon blacks were produced and showed uniform and sphere-like morphologies. The size of carbon black synthesized from methane was observed to be smaller than that from propane.

Modeling and Measurements of the Activity Coefficients and Solubilities of Amino Acids in the L-valine/electrolyte and L-proline/electrolyte Aqueous Solutions (L-Valine/전해질 및 L-Proline/전해질 수용액에서 아미노산의 활동도계수와 용해도의 측정 및 모델링)

  • Lee, Bong-Seop;Kim, Ki-Chang
    • Korean Chemical Engineering Research
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    • v.50 no.1
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    • pp.93-105
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    • 2012
  • Activity coefficients and solubilities of L-Valine and L-Proline in aqueous solutions containing each of four electrolytes such as NaCl, KCl, $NaNO_3$ and $KNO_3$ were measured at 298.15 K. The measurements of activity coefficients were carried out in the electrochemical cell coupled with two ion-selective electrodes (cation and anion), and the solubilities were measured by the gravimetric analysis of saturated solutions in equilibrium with the solid phase of amino acid. The measured activity coefficients of electrolytes and amino acids were correlated with the theoretical thermodynamic model presented in the previous work [Korean Chem. Eng. Res. 48(4), 519(2010)]. It was found that the activity coefficients of amino acids and electrolytes described based on the our previous model were well agreeable with experimental data. Also the experimental solubility data of L-Valine and L-Proline were successfully correlated with the thermodynamic relation mentioned in the previous work.

Analysis of the Theoretical Performance Characteristics for Methane-fuel Bipropellant Rocket Engine (메탄을 연료로 하는 이원추진제 로켓엔진의 이론성능특성 분석)

  • Kim, Jong Hyun;Jung, Hun;Kim, Jeong Soo
    • Journal of the Korean Society of Propulsion Engineers
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    • v.18 no.3
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    • pp.1-7
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    • 2014
  • A set of preliminary design parameters for the bipropellant rocket engine using liquid methane-fuel as green propellant were derived through a theoretical performance analysis. Chemical equilibrium analysis utilizing CEA was conducted for the prediction of combustion performance: combustion characteristics according to the O/F ratio and chamber pressure variation were investigated. For a determination of chamber-characteristic length, the vaporization time of fuel-droplet with various performance parameters was calculated by applying Spalding's 1-D droplet vaporization model. Finally, the preliminary design specification of methane-bipropellant rocket engine, which is to be performance-tested under the ground firing condition, was proposed.