• Title/Summary/Keyword: chemical equilibrium

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Numerical Study of Chemical Reaction for Liquid Rocket Propellant Using Equilibrium Constant (평형상수를 이용한 액체로켓 추진제의 화학반응 수치연구)

  • Jang, Yo Han;Lee, Kyun Ho
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.44 no.4
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    • pp.333-342
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    • 2016
  • Liquid rocket propulsion is a system that produces required thrust for satellites and space launch vehicles by using chemical reactions of a liquid fuel and a liquid oxidizer. Monomethylhydrazine/dinitrogen tetroxide, liquid hydrogen/liquid oxygen and RP-1/liquid oxygen are typical combinations of liquid propellants commonly used for the liquid rocket propulsion system. The objective of the present study is to investigate useful design and performance data of liquid rocket engine by conducting a numerical analysis of thermochemical reactions of liquid rocket propellants. For this, final products and chemical compositions of three liquid propellant combinations are calculated using equilibrium constants of major elementary equilibrium reactions when reactants remain in chemical equilibrium state after combustion process. In addition, flame temperature and specific impulse are estimated.

The Effect of Classes Using the Scratch for Quasi-Microscopic Representation Approaches in Dynamic Equilibrium Learning (동적 평형 학습에서 준미시적 표상 접근을 위한 스크래치 활용 수업의 효과)

  • Seongjae Lee;Sungki Kim;Seoung-Hey Paik
    • Journal of the Korean Chemical Society
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    • v.67 no.4
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    • pp.241-252
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    • 2023
  • This study aims to increase students' understanding of equilibrium, one of the many concepts in chemistry that students find difficult. Dynamic equilibrium must be dealt with at the sub-microscopic level where the real and the representation overlap in order to microscopically understand the constant motion and interaction of particles and to understand the macroscopic characteristics expressed through this. However, as a result of analyzing 9 Chemistry I textbooks, the expression approach for equilibrium had some limitations. As a strategy to understand equilibrium at a sub-microscopic approach, the classes using scratch were consisted of a total of 4 hours, and it was implemented with 56 students. The classes were composed of 6 steps, and it was designed to understand equilibrium step by step. As a result of comparing the pretest and post- test, the number of students who got both the microscopic and macroscopic explanations of chemical equilibrium correct increased largely. Through this, it was possible to get a glimpse of the applicability of classes using scratch as the approach strategy of the sub-microscopic representation.

Chemical Equilibrium Modeling for Magnetite-Packed Crevice Chemistry in a Nuclear Steam Generator

  • Bahn, Chi-Bum;Rhee, In-Hyoung;Hwang, Il-Soon;Park, Byung-Gi
    • Bulletin of the Korean Chemical Society
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    • v.26 no.11
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    • pp.1783-1789
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    • 2005
  • Modeling of a steam generator crevice in a nuclear power system needs to take into account both thermalhydraulic and chemical phenomena. As a first step towards developing a reliable model, a chemical equilibrium model was developed to predict chemical speciation in a magnetite-packed crevice by adopting the “tableau” method. The model was benchmarked with the available experimental data and the maximum deviation did not exceed two orders of magnitude. The developed model was applied to predict the chemical speciation in a magnetite-packed crevice. It was predicted that caustic environment was developed by the concentration of NaOH and the dissolution of magnetite. The model indicated that the dominant aqueous species of iron in the caustic crevice was $FeO_2\;^-$. The increase of electrochemical corrosion potential observed in the experiment was rationalized by the decrease of dissolved hydrogen concentration due to a boiling process. It was predicted that under the deaerated condition magnetite was oxidized to hematite.

Pre-equilibrium in the Schmidt Reaction of Benzhydrols (Benzhydrol 類의 Schmidt 反應에 있어서의 Pre-equilibrium)

  • Pyun, Hyung-Chick
    • Journal of the Korean Chemical Society
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    • v.8 no.1
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    • pp.25-29
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    • 1964
  • Benzhydryl azide 類에 Benzhydrol 類를 混合하여 Schmidt 反應을 逐行할 때에 Benzhydryl 基 間에 完全한 Radical exchange 現象이 일어남을 알았다. 故로 Benzhydrol 類의 Schmidt 反應에 있어서는 一但 生成된 Benzhydryl azide가 濃硫酸存在下에서 Benzhydryl cation과 Hydrazoic acid로 分離되어 完全平衡狀態에 있음을 確認할 수 있었다.

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Correlation of Liquid-Liquid Equilibrium of Four Binary Hydrocarbon-Water Systems, Using an Improved Artificial Neural Network Model

  • Lv, Hui-Chao;Shen, Yan-Hong
    • Journal of the Korean Chemical Society
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    • v.57 no.3
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    • pp.370-376
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    • 2013
  • A back propagation artificial neural network model with one hidden layer is established to correlate the liquid-liquid equilibrium data of hydrocarbon-water systems. The model has four inputs and two outputs. The network is systematically trained with 48 data points in the range of 283.15 to 405.37K. Statistical analyses show that the optimised neural network model can yield excellent agreement with experimental data(the average absolute deviations equal to 0.037% and 0.0012% for the correlated mole fractions of hydrocarbon in two coexisting liquid phases respectively). The comparison in terms of average absolute deviation between the correlated mole fractions for each binary system and literature results indicates that the artificial neural network model gives far better results. This study also shows that artificial neural network model could be developed for the phase equilibria for a family of hydrocarbon-water binaries.

Identification of High School Students' Understanding on the Reaction Rate Change During Chemical Equilibrium Shift (화학 평형 이동시 반응 속도 변화에 대한 고등학생들의 이해 조사)

  • Park, Jong-Yoon;Yu, Hyun-Hee
    • Journal of the Korean Chemical Society
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    • v.51 no.4
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    • pp.365-374
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    • 2007
  • The purpose of this study is to investigate the students' conceptions about the reaction rate changes during the chemical equilibrium shifts and also whether the questions about basic concepts of the reaction rate are helpful for the students' understanding of reaction rate changes during the chemical equilibrium shifts. The subjects were 100 students in the 12th grade. The questionnaires were composed of A, B, and A' set, which had to be answered sequentially. The A set consisted of questions asking the change of reaction rate when chemical equilibrium was shifted, the B set was to testify the basic concepts of the reaction rate, and the A' set was the same as the A set. The results showed that the students' understanding of the reverse reaction rate change was lower than that of the forward reaction rate change during the equilibrium shift. Also it was found that students' understanding of the reaction rate change caused by adding the reactant was fairly good while their understanding of the reaction rate change caused by temperature increment was very poor. Since the students marked very high scores in the B set questions, their poor understanding for the reaction rate changes during the equilibrium shifts was not seemed to be due to the lacks of the basic knowledge of reaction rate. Instead, it was due to the failure of applying the basic knowledge of reaction rate to the changes of reaction conditions. It was also found that the average scores of A' set were statistically higher than those of A set. It means the B set items were helpful for the students to solve the A' set items. These results evidenced the possibility of set questionnaires could help the students to connect the related concepts in solving the problems.

Salinity Effect on the Equilibria and Kinetics of the Formation of CO2 and R-134a Gas Hydrates in Seawater

  • Johanna, Lianna;Kim, A Ram;Jeong, Guk;Lee, Jea-Keun;Lee, Tae Yun;Lim, Jun-Heok;Won, Yong Sun
    • Korean Journal of Materials Research
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    • v.26 no.7
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    • pp.382-387
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    • 2016
  • Gas hydrates are crystalline solids in which gas molecules (guests) are trapped in water cavities (hosts) that are composed of hydrogen-bonded water molecules. During the formation of gas hydrates in seawater, the equilibria and kinetics are then affected by salinity. In this study, the effects of salinity on the equilibria of $CO_2$ and R134-a gas hydrates has been investigated by tracing the changes of operating temperature and pressure. Increasing the salinity by 1.75% led to a drop in the equilibrium temperature of about $2^{\circ}C$ for $CO_2$ gas hydrate and $0.38^{\circ}C$ for R-134a gas hydrate at constant equilibrium pressure; in other words, there were rises in the equilibrium pressure of about 1 bar and 0.25 bar at constant equilibrium temperature, respectively. The kinetics of gas hydrate formation have also been investigated by time-resolved in-situ Raman spectroscopy; the results demonstrate that the increase of salinity delayed the formation of both $CO_2$ and R134-a gas hydrates. Therefore, various ions in seawater can play roles of inhibitors for gas hydrate formation in terms of both equilibrium and kinetics.

ANALYSIS OF EQUILIBRIUM METHODS FOR THE COMPUTATIONAL MODEL OF THE MARK-IV ELECTR OREFINER

  • Cumberland, Riley;Hoover, Robert;Phongikaroon, Supathorn;Yim, Man-Sung
    • Nuclear Engineering and Technology
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    • v.43 no.6
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    • pp.547-556
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    • 2011
  • Two computational methods for determining equilibrium states for the Mark-IV electrorefiner (ER) have been assessed to improve the current computational electrorefiner model developed at University of Idaho. Both methods were validated against measured data to better understand their effects on the calculation of the equilibrium compositions in the ER. In addition, a sensitivity study was performed on the effect of specific unknown activity coefficients-including sodium in molten cadmium, zirconium in molten cadmium, and sodium chloride in molten LiCl-KCl. Both computational methods produced identical results, which stayed within the 95% confidence interval of the experimental data. Furthermore, sensitivity to unavailable activity coefficients was found to be low (a change in concentration of less than 3 ppm).

Removal of Heavy metal Ions from Aqueous Solutions by Adsorption on Magadiite

  • 정순용;이정민
    • Bulletin of the Korean Chemical Society
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    • v.19 no.2
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    • pp.218-222
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    • 1998
  • Removal of Cd(Ⅱ), Zn(Ⅱ) and Cu(Ⅱ) from aqueous solutions using the adsorption process on magadiite has been investigated. It was found that the removal percentage of metal cations at equilibrium increases with increasing temperature, and follows the order of Cd(Ⅱ) > Cu(Ⅱ) > Zn(Ⅱ). Equilibrium modeling of adsorption showed that the adsorptions of Cd(Ⅱ), Cu(Ⅱ), and Zn(Ⅱ) were fitted to Langmuir isotherm. Kinetic modeling of the adsorption showed that first order reversible kinetic model fitted to experimental data. From kinetic model and equilibrium data, the overall rate constant (k) and the equilibrium constant (K) for the adsorption process were calculated. The overall rates of adsorption of metal ions follow the order of Cd(Ⅱ) > Cu(Ⅱ) > Zn(Ⅱ). From the results of thermodynamic analysis, standard Gibbs free energy (ΔG°), standard enthalpy (ΔH°), and standard entropy (ΔS°) of adsorption process were calculated.

Phase Equilibrium of Binary Mixture for the (propylene oxide + 1-pentanol) System at Several Temperatures

  • Kim, Jeong-lae;Kim, Hakmin;Park, Su In;An, Gyu Min;Kim, Min Gi;Shin, Moon Sam
    • Korean Chemical Engineering Research
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    • v.57 no.1
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    • pp.73-77
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    • 2019
  • Isothermal (vapor + liquid) equilibrium data measurements were undertaken for the binary mixtures of (propylene oxide + 1-pentanol) system at three different temperatures (303.15, 318.15, and 333.15) K. The Peng-Robinson-Stryjek-Vera equation of state (PRSV EOS) was used to correlate the experimental data. The van der Waals one-fluid mixing rule was used for the vapor phase and the Wong-Sandler mixing rule, which incorporates the non-random two liquid (NRTL) model, the universal quasi-chemical (UNIQUAC) model and the Wilson model, was used for the liquid phase. The experimental data were in good agreement with the correlation results.