• Title/Summary/Keyword: Chemical equilibrium analysis

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Analysis of Contaminants in a $CH_4-O_2$ Vitiated Air Heater ($CH_4-O_2$ Vitiated 공기가열기에서의 오염도 분석)

  • Na, Jae-Jeong;Lee, Jung-Min;Lim, Jin-Shik
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2010.11a
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    • pp.447-450
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    • 2010
  • This study was conducted to explore the flow contamination in the $CH_4-O_2$ vitiated air heater. Non-equilibrium and equilibrium calculation were made of the flow processes in the heater and nozzle assuming the inviscid and one dimensional flow. The results were compared with the measurement data. The overall results of this study showed additional non-equilibrium calculation should be considered to assess the presence of NO, which species could yield the combustion delay or no reaction, as a contaminant.

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An Analysis and Improvement of the Experiment about the Effect of Pressure on the Equilibrium of the NO2 - N2O4 System (NO2 - N2O4 사이의 평형에서 압력의 영향에 관한 실험의 문제점 분석 및 개선)

  • Eung-Gyu Kang;Seong-Joo Kang
    • Journal of the Korean Chemical Society
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    • v.47 no.3
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    • pp.283-291
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    • 2003
  • The purpose of this research was to analyze and improve the experiment, observing the color change under compression on the equilibrium of $2NO_2\;{\rightleftarrow}\;N_2O_4$ system, described in high school and general chemistry textbooks. Chemistry textbooks described that the reddish brown color got lighter on the compression of $2NO_2\;{\rightleftarrow}\;N_2O_4$ system. This misinterpretation was due to no consideration of $NO_2$ concentration increase by the volume decrease. In order to propose a correct interpretation, the changes of color and temperature on compression were quantitatively measured and compared with theoretical studies. In addition, an improved experiment, excluding the effect of $NO_2$ concentration increase, was proposed to observe only the color change of the net equilibrium shift.

Analysis of Microsegregation in Fe-Cr-Ni Weld Metal (Fe-Cr-Ni강 용접금속부의 미세편석에 관한 해석)

  • 박준민;박종민;안상곤;이창희;윤의박
    • Journal of Welding and Joining
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    • v.16 no.5
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    • pp.56-66
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    • 1998
  • During solidification or welding of alloys, the solute redistribution brings out microsegregation. The microsegregation causes the formation of non-equilibrium second phases, shrinkage and porosity degrading mechanical/chemical properties Therefore, it has been required to predict microsegregation quantitatively. To predict the degree of microsegregation, more exact and appropriate computer simulation technique has been actively used during last two decades. To predict the degree of microsegregation in weld metal, an advanced two dimensional model was suggested. In the new model, both primary and secondary arm regions were defined for the analysis region. The growth in the primary arm regina was assumed to be a planar for effective calculation. Especially, for the growth of a secondary arm, a simple and effective mathematical function was established to show the growing pattern, the solute diffusion in the solid phase was calculated by finite difference method (FDM). The solid-liquid interface movement was considered to be in local equilibrium state. The experiments for welding of 310S stainless steel were carried out in order to examined the reasonability and feasibility of this model. The concentration profiles of the solute predicted by this model were compared with those obtained from experimental works.

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A Propellant Loading Analysis Program of Bipropellant Propulsion System (이원추진제 추진계의 추진제 충전 해석 프로그램)

  • Chae, Jong-Won;Han, Cho-Young;Yu, Myoung-Jong
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.37 no.10
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    • pp.1048-1053
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    • 2009
  • It proposes an simple and intuitive method that calculates the equilibrium pressures of a propellant tank by appling the mass conservation principle on the helium in the liquid propellant and in an ullage volume of the propellant tank. A propellant loading analysis program is developed and validated against the existing reference data. And it has applied to the present developing program, COMS Chemical Propulsion Subsystem and the results are compared, it may use to develop a technology of the next geostationary complex satellite's propulsion system.

A DSMC Technique for the Analysis of Chemical Reactions in Hypersonic Rarefied Flows (화학반응을 수반하는 극초음속 희박류 유동의 직접모사법 개발)

  • Chung C. H.;Yoon S. J.
    • Journal of computational fluids engineering
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    • v.4 no.3
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    • pp.63-70
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    • 1999
  • A Direct simulation Monte-Carlo (DSMC) code is developed, which employs the Monte-Carlo statistical sampling technique to investigate hypersonic rarefied gas flows accompanying chemical reactions. The DSMC method is a numerical simulation technique for analyzing the Boltzmann equation by modeling a real gas flow using a representative set of molecules. Due to the limitations in computational requirements. the present method is applied to a flow around a simple two-dimensional object in exit velocity of 7.6 km/sec at an altitude of 90 km. For the calculation of chemical reactions an air model with five species (O₂, N₂, O, N, NO) and 19 chemical reactions is employed. The simulated result showed various rarefaction effects in the hypersonic flow with chemical reactions.

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Equilibrium, Kinetic and Thermodynamic Parameter Studies on Adsorption of Acid Black 1 Using Coconut Shell-Based Granular Activated Carbon (야자각계 입상 활성탄의 Acid Black 1 염료 흡착에 대한 평형, 동역학 및 열역학 파라미터의 연구)

  • Lee, Dong-Chang;Lee, Jong-Jib
    • Applied Chemistry for Engineering
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    • v.27 no.6
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    • pp.590-598
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    • 2016
  • In this study, the adsorption behavior from aqueous solution as well as kinetic and thermodynamic parameters of Acid Black 1 were investigated through batch reaction using coconut shell based granular steam activated carbon. The effects of various adsorption parameters such as pH, initial concentration, contact time, temperature were studied. To confirm the effect of pH, pHpzc measurements were analyzed followed by measuring removal efficiencies of Acid Black 1 at the pH range from 3 to 11. Experimental equilibrium adsorption data were fitted using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich adsorption isotherm. The conformity of adsorption reaction for pseudo first and second order model were evaluated through kinetic analysis. Values of enthalpy change and activation energy were also investigated through thermodynamic analysis and it was confirmed that the adsorption process was endothermic. The spontaneity of adsorption process was evaluated using the values of entropy and Gibbs free energy changes.

Performance Estimation and Process Selection for Chemical-Looping Hydrogen Generation System (금속매체 순환식 수소생산 시스템의 성능예측 및 공정선정)

  • Ryu, Ho-Jung;Jin, Gyoung-Tae
    • Transactions of the Korean hydrogen and new energy society
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    • v.16 no.3
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    • pp.209-218
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    • 2005
  • To find a suitable metal component in oxygen carrier particles for chemical-looping hydrogen generation system(CLH), oxygen transfer capacities of metal components were compared and Ni has been selected as the best metal component. The proper operating conditions to achieve high hydrogen generation rate have been investigated based on the chemical-equilibrium composition analysis for water splitting reactor. Moreover, suitable compositions of syngas from gasifier of heavy residue to achieve high energy efficiency have been investigated by calculation of heat of reaction. Based on the selected operating conditions, the best configuration of two interconnected fluidized beds system for the chemical-looping hydrogen generator has been investigated as well.

A Thermo chemical Study of Arcjet Thruster Flow Field

  • J-R. Shin;S. Oh;Park, J-Y
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2004.03a
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    • pp.257-261
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    • 2004
  • Computational fluid dynamics analysis was carried out for thermo-chemical flow field in Arcjet thruster with mono-propellant Hydrazine ($N_2$H$_4$) as a working fluid. The theoretical formulation is based on the Reynolds Averaged Navier-Stokes equations for compressible flows with thermal radiation. The electric potential field governed by Maxwell equation is loosely coupled with the fluid dynamics equations through the Ohm heating and Lorentz force. Chemical reactions were assumed being infinitely fast due to the high temperature field inside the arcjet thruster. An equilibrium chemistry module for nitrogen-hydrogen mixture and a thermal radiation module for optically thin media were incorporated with the fluid dynamics code. Thermo-physical process inside the arcjet thruster was understood from the flow field results and the performance prediction shows that the thrust force is increased by amount of 3 times with 0.6KW arc heating.

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Chemical Preparation of Barium-Strontium Titanate

  • 노태용;김승원;이철
    • Bulletin of the Korean Chemical Society
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    • v.16 no.12
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    • pp.1180-1184
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    • 1995
  • The precursors of Ba1-xSrxTiO3(x=0.0-0.3) were prepared by the rapid addition of aqueous solution of titanyl oxalate to the mixed aqueous solution of barium and strontium at room temperature. The optimum pH was theoretically calculated from the equilibrium constants and solubility products. The chemical formula of the precursors obtained corresponded to Ba1-xSrxTiO(C2O4)2·4H2O(x=0.0-0.3) as determined by thermal gravimetric analysis. The precursors were converted to stoichiometric Ba1-xSrxTiO3(x=0.0-0.3) with a particle size of 0.01-0.04 μm. As increasing the amount of strontium substituted to barium sites, the structure of crystal changed from the tetragonal phase to the cubic and the unit cell volume was decreased.

Adsorption Isotherms of Catechin Compounds on (+)Catechin-MIP

  • Jin, Yinzhe;Wan, Xiaolong;Row, Kyung-Ho
    • Bulletin of the Korean Chemical Society
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    • v.29 no.8
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    • pp.1549-1553
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    • 2008
  • A molecular imprinted polymer (MIP) using (+)catechin ((+)C) as a template and acrylamide (AM) as a functional monomer was prepared. Acetonitrile was used as the porogen with ethylene glycol dimethacrylate (EGDMA) as the crosslinker and 2,2'-azobis(isobutyronitrile) (AIBN) as the initiator. The adsorption isotherms in the MIP were measured and the parameters of the equilibrium isotherms were estimated by linear and nonlinear regression analyses. The linear equation for original concentration and adsorpted concentrations was then expressed, and the adsorption equilibrium data were correlated into Langmuir, Freundlich, quadratic, and Langmuir Extension isotherm models. The mixture compounds of (+)C and epicatechin (EC) show competitive adsorption on specific binding sites of the (+)catechin-MIP. The adsorption concentrations of (+)C, epicatechin (EC), epicatechin gallate (ECG), and epigallocatechin gallate (EGCG), on the (+)catechin-molecular imprinted polymer were compared. Through the analysis, the (+)catechin-molecular imprinted polymer showed higher adsorption ability than blank polymer which was synthesized molecular imprinted polymer without (+)catechin. Furthermore, the competitive Langmuir isotherms were applied to the mixture compounds of (+)C and EC.