• Title/Summary/Keyword: Equilibrium constants

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Finite Element Analysis and Experimental Investigation of Non-isothermal Forming Processes for Aluminum-Alloy Sheet Metals (Part2:Analysis) (알루미늄 합금박판 비등온 성형공정의 유한요소 해석 및 실험적 연구 (제2부:해석))

  • 김성민;구본영;금영탁;김종호
    • Transactions of Materials Processing
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    • v.8 no.3
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    • pp.252-261
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    • 1999
  • The 3-dimensional finite element program is developed to analyze the non-isothermal forming processes of aluminum-alloy sheet metals. Bishop's method is introduced to solve the heat balance and force equilibrium equations. Also, Barlat's non-quadratic anisotropic yield function depicts the planar anisotropy of the aluminum-alloy sheet. To find an appropriate constitutive equation, four different forms are reviewed. For the verification of the reliability of the developed program, the computational try-outs of the non-isothermal cylindrical cupping processes of AL5052-H32 and Al1050-H16 are carried out. As results, the constitutive equation relating to strain and strain-rate, in which the constants are represented by the 5th-degree polynomials of temperature, is in good agreement with measurement. The computational try-outs can predict optimal forming conditions in non-isothermal forming processes.

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Estimation of characteristic parameters of refrigerants by group contribution method (집단 기여법에 의한 냉매의 특성인자 예측)

  • Kim, Y.I.
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.11 no.1
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    • pp.125-132
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    • 1999
  • Studies are being done to replace conventional refrigerants with alternatives that have low or no ozone depletion and greenhouse warming Potentials, yet possess appropriate pro perties for a refrigeration cycle. To achieve this goal, a consistent set of thermodynamic properties of the working fluid is required. A common problem with the possible alternative refrigerants is that sufficient experimental data do not exist, thus making it difficult to develp complete equations of state that can predict properties in all regions including the vapor-liquid equilibrium. One solution is the use of the generalized equation of state correlations that can predict thermodynamic properties with a minimum number of characteristic parameters. Characteristic parameters required for the generalized equation of state are, in general, critical temperature, critical pressure, critical volume and normal boiling temperature. In this study, estimation of these characteristic parameters of refrigerants by group contribution method is developed.

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Mathematical modeling of smart nanoparticles-reinforced concrete foundations: Vibration analysis

  • Kargar, Masood;Bidgoli, Mahmood Rabani
    • Steel and Composite Structures
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    • v.27 no.4
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    • pp.465-477
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    • 2018
  • In this research, vibration and smart control analysis of a concrete foundation reinforced by $SiO_2$ nanoparticles and covered by piezoelectric layer on soil medium is investigated. The soil medium is simulated with spring constants and the Mori-Tanaka low is used for obtaining the material properties of nano-composite structure and considering agglomeration effects. With considering first order shear deformation theory, the total potential energy of system is calculated and by means of Hamilton's principle in three displacement directions and electric potential, the six coupled equilibrium equations are obtained. Also, based an analytical method, the frequency of system is calculated. The effects of applied voltage, volume percent and agglomeration of $SiO_2$ nanoparticles, soil medium and geometrical parameters of structure are shown on the frequency of system. Results show that with applying negative voltage, the frequency of structure is increased.

Structural, Magnetic, and Electronic Properties of Fe: A Screened Hybrid Functional Study

  • Jang, Young-Rok;Yu, Byung-Deok
    • Journal of Magnetics
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    • v.16 no.3
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    • pp.201-205
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    • 2011
  • We performed total energy and electronic structure calculations for the basic ground state properties of Fe using the conventional generalized gradient approximation (GGA) and screened hybrid functionals as the form of the exchange-correlation functional. To that end, we calculated structural (equilibrium lattice constants, bulk moduli, and cohesive energies) and electronic (magnetic moments and densities of states) properties. Both functional calculations gave the correct ground state, the ferromagnetic bcc phase, in which the structural parameters agreed well with experimental results. However, the description of the cohesive energies and magnetic moments at the ground state exhibited different behavior from each other: the unusually small cohesive energy and large magnetic moment were observed in the screened hybrid functional calculations compared to the GGA calculations. The reason for the difference was examined by analyzing the calculated electronic structures.

The Reaction Rate Constants of ${\alpha}-Methylstyrene-co-Methylmethacrylate\;{\alpha}Methylstyrene-co-Acrylonitrile$ (알파메틸스티렌-메틸메타이크릴레이트 및 알파메틸스티렌-아크릴로니트릴의 라디칼 공중합의 반응속도상수)

  • Kim, Nam-Seok;Seul, Soo-Duk
    • Elastomers and Composites
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    • v.28 no.3
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    • pp.183-190
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    • 1993
  • The radical copolymerization with propagation and depropagation is presented in order to estimate reactivity rate of monomers and $K_{11}$(the equilibrium constant for propagation and depropagation) in the copolymerization of ${\alpha}-methylstyrene-co-methylmethacrylate$ and ${\alpha}-methylstyrene-acrylonitrile$. The value of ${\alpha}-methylstyrene$ and methylmethacrylate and $K_{11}$ are found to be 0.48, 0.47 and 5.0 respectively. The value of ${\alpha}-methylstyrene$ and acrylonitrile and the $K_{11}$ are found to be 0.1251, 0.0577 and 23.8 respectively. The treatment rate constant of ${\alpha}-methylstyrene-co-methylmethacrylate$ and ${\alpha}-methylstyrene-co-acrylonitrile$ in the copolymerization is estimated to be 2.5, 80.72 regardless of monomer feed composition.

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Low-Frequency Ultrasonic Relaxation of β-Cyclodextrin and Adenosine 5'-Monophosphate in Aqueous Solution

  • Bae, Jong-Rim;Lee, Chang-Woo
    • Bulletin of the Korean Chemical Society
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    • v.30 no.1
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    • pp.145-148
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    • 2009
  • Nucleotides are the building blocks of nucleic acids and essential for many cellular functions. In this study, ultrasonic absorption spectra of $\beta$-cyclodextrin ($\beta$-CD) and adenosine 5'-monophosphate (AMP) in aqueous solution were measured over the broad frequency range 0.1-40 MHz with emphasis on the low-frequency range below 1 MHz. Here we show that the interaction of $\beta$-CD and AMP complies with a typical spectrum of a single relaxation process. We determined reliable rate (kb) and equilibrium (K) constants and a standard volume change ($\Delta$V) of the reaction. They are $k_b=2.3{\times}{{10^{-6}}_s}^{-1},\;K=89M^{-1},\;and\;{\Delta}V=13.8(10^{-6}m^3mol^{-1})$, respectively.

The pH Dependence of Metal Tetrakis (4-sulfonato-phenyl) porphine Structure Probed by Raman Spectroscopy

  • Yoon Minjoong;Chang Jae-Rim;Kim Dongho
    • Bulletin of the Korean Chemical Society
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    • v.9 no.1
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    • pp.40-44
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    • 1988
  • The pH dependence studies of Raman spectra are reported for water-soluble free-base, Zn, Co and Cu tetrakis (4-sulfonatophenyl) porphine in pH 4, pH 7 and pH 13.9 aqueous solution. For free base porphine, the substantial differences are found in absorption and Raman spectra between pH 4 and pH 7 or pH 10 aqueous solutions due to the protonation at low pH. For Zn and Co porphyrins, the hydrolysis equilibrium constants are obtained by spectrophotometric titration experiments. The consistent shifts in Raman frequencies are found at high pH due to the hydrolysis. For Cu porphyrins, instead of hydrolysis the aggregation effect is detected at high pH through the absorption and Raman studies.

Enzyme Kinetics of Multiple Inhibition in the Presence of Two Reversible Inhibitors

  • Han, Moon H.;Seong, Baik L.
    • Bulletin of the Korean Chemical Society
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    • v.3 no.3
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    • pp.122-129
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    • 1982
  • In order to extend our understanding on the multiple inhibition enzyme kinetics, a general equation of an enzyme reaction in the presence of two different reversible inhibitors was derived by what we call "match-box mechanism" under the combined assumption of steady-state and quasi-equilibrium for inhibitor binding. Graphical methods were proposed to analyze the multiple inhibition of an enzyme by any given sets of different inhibitors, i.e., competitive, noncompetitive, and uncompetitive inhibitors. This method not only gives an interaction factor $({\alpha})$ between two inhibitors, but also discerns ${\alpha}_1$ and ${\alpha}_2$ with and without substrate binding, respectively. The factors involved in the dissociation constants of inhibitors can also be evaluated by the present plot. It is also shown that the present kinetic approach can be extended to other forms of activators or hydrogen ions with some modification.

Fluorescence Enhancement of Ethidium Bromide by DNA Bases and Nucleosides

  • Pyun, Chong-Hong;Park, Su-Moon
    • Bulletin of the Korean Chemical Society
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    • v.10 no.2
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    • pp.142-147
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    • 1989
  • Fluorescence enhancements of ethidium bromide (EB) by solution species of low molecular weights such as DNA base molecules and nucleosides in water are reported. The degree of enhancements was determined by intensity as well as lifetime measurements for EB fluorescence. Experiments including solvent effects on absorbance and fluorescence spectra of EB, effects of protonation on the EB absorbance spectrum, and determination of equilibrium constants for EB-DNA bases have been performed to help explain the fluorescence enhancement. The results suggest that the excited state stabilization in the hydrophobic environment, the loss of torsional/vibrational energy of amino groups, and the change in the electronic transition characteristics are all responsible for the fluorescence enhancement.

Characterization of Spinel Lithium Manganite Prepared by Citrate Sol-Gel Method

  • 홍영식;박휴범;이지은;한치환;김시중
    • Bulletin of the Korean Chemical Society
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    • v.18 no.11
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    • pp.1153-1158
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    • 1997
  • The powder characteristics of LiMn2O4 prepared by the citrate sol-gel method have been investigated. The optimum pH for the preparation of homogeneous citrate gel was calculated by the theoretical consideration of thermodynamic equilibrium constants for metal-citrate complexes and metal salts. The obtained citrate gel was prefired at 300 ℃ and calcined at 300-700 ℃ for 1 h. The obtained powders were characterized by TG/DSC, FT-IR spectrometer, X-ray diffractometer, SQUID magnetometer, SEM, and particle size analyzer. It was observed that the mixed phases of spinel LiMn2O4 and Mn3O4 were transformed into spinel LiMn2O4 phase and the vibrational bands due to the carbonate and nitrate were also disappeared over 400 ℃. At temperatures below 150 K, inverse molar susceptibilities of every sample began to show an antiferromagnetic ordering of Mn magnetic moments.