• Title/Summary/Keyword: 평형 계산

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Effect of Ethanol on the Protolytic Properties of the Vitamins B Group

  • Ghasemi, J.;Shiri, F.
    • Journal of the Korean Chemical Society
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    • v.51 no.1
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    • pp.21-30
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    • 2007
  • A multiwavelength spectrophotometric titration method was applied to study protolytic constants of four water-soluble vitamins, folic acid(vitamin B9 or B0), thiamine(vitamin B1), riboflavin(vitamin B2) and pyridoxal (vitamin B6) in binary ethanol-water mixtures at 25oC and an ionic strength of 0.1M NaNO3. The protolytic equilibrium constants, spectral profiles, concentration diagrams and also the number of components has been calculated from the curve fitting of the pH-absorbance data with appropriate mass balance equations by an established factor analysis model. DATAN program was used for determination of acidity constant and SPECFIT program was used for calculation of standard deviations and partial correlation coefficients. A glass electrode calibration procedure based on the four parameter equation pH=α+SpcH+JH+[H+]+ JOH-Kw/[H+] based on the Gran,s plots was used to obtain pH-readings in the concentration scale (pcH). The effect of the solvent on the protolytic constants was discussed.

The Effects of Substituent, Pressure and Temperature on the Dissociation Constants of Organic Acids (VII). Dissociation Constants of Some ${\omega}$-Amino Acid in Aqueous Solution (유기산의 해리평형에 미치는 치환기 효과와 그의 온도 및 압력의 영향 (제 7 보). 수용액중에서 몇가지 ${\omega}$-아미노산의 해리)

  • Jung Ui Hwang;Young Woo Kwak;Jae Won Jung
    • Journal of the Korean Chemical Society
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    • v.33 no.4
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    • pp.343-349
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    • 1989
  • The dissociation constants of ${\beta}$-alanine and ${\gamma}$-aminobutyric acid were measured in the temperature range from 20 to $40^{\circ}C$ and pressure up to 2,500 bar by conductometric method. The both dissociation constants of respective amino acid increase with temperature increase but pressure effect is not same as the temperature. The $K_1$ increases as pressure increases but $K_2$ decreases. The properties of these amino acids were discussed in terms of the thermodynamic properties of the dissociation reaction. A relationship between the dissociation constants and the distance between substituted groups of amino acid was discussed. The substituted effects of the reaction were deduced from Hammett reaction and substituted constants which were calculated from the measured dissociation constants.

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Design, Analysis and Experiment of Potato Gun with a Spherical Projectile (구형 탄환을 이용한 감자총의 설계, 해석 및 시험)

  • Kang, Hong-Jae;Kim, Ji-Hwan;Kim, Young-Sik;Son, So-Eun;Choi, Han-Ul;Choi, Jeong-Yeol
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.41 no.10
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    • pp.796-804
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    • 2013
  • The "Potato Gun," a simple heat engine, is fabricated, tested and analyzed as a part of engineering education program of combustion and propulsion classes. Combustor pressure is predicted by the chemical equilibrium analysis of a constant volume combustor. Then, the internal ballistics, the conversion of thermal energy into the mechanical energy of a projectile, is predicted though the expansion process. The trajectory of a projectile is estimated by considering the aerodynamic effect around the spherical projectile. The energy conversion efficiency and the equivalence ratio of the fuel-air mixture could be estimated by the comparison of the experimental results and the theoretical prediction. The present work would be an example of attracting the interest of students for the application of the engineering principles at undergraduate level by recycling the waste materials.

Equations for Water Sorption Isotherms of the Mixture of Dried Soymilk Residue and Wheat Flour (건조(乾燥)한 콩우유 비지와 밀가루 혼합물(混合物)의 등온흡습성질(等溫吸濕性質)과 관계식(關係式))

  • Sohn, Jung-Woo;Kim, Woo-Jung;Kim, Sang-Soon
    • Korean Journal of Food Science and Technology
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    • v.17 no.2
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    • pp.101-106
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    • 1985
  • Dried soymilk residue(SMR) which was prepared by washing with ethanol and acetone, followed by drying at $60^{\circ}C$ was investigated for its sorption characteristics and the relationship between moisture content and water activity when it was mixed with wheat flour. During storage at $20^{\circ}C$ and various RH, an excess sorption phenomena was observed for solvent treated and dried SMR before equilibrium reached. A simple equation of log(dw/dt)=b log t+log a, where t is storage time(hr) and w is %$(H_2O)$ was drived for sorption or desorption rate of dried SMR at RH range of 12%-92%. From sorption isothermifigure, the moisture content(Mi) could be calculated from water activity by the equation of Mi=b Aw+a. The proposed equation was proved to have better fitness than those of the Smith isotherm equation or Lang and Steinberg equation for the mixture of dried SMR and wheat flour.

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A Study on Remediation Characteristics of Soils Contaminated with Co using Solvent Flushing Method (Solvent Flushing방법을 이용한 코발트로 오염된 토양의 제염특성에 관한 연구)

  • 김계남;원휘준;김희연;이병직;오원진
    • Journal of Korea Soil Environment Society
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    • v.4 no.2
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    • pp.55-62
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    • 1999
  • The solvent flushing apparatus for soil remediation was designed. After the soil around nuclear facilities was sampled and compulsorily contaminated by Co, the characteristics remediated by solvent flushing were analyzed. Meanwhile, the nonequilibrium sorption code was developed for modelling of the soil remediation by solvent flushing, input parameters needed for modelling were measured by laboratory experiment. Experimental results are as follows : The soil around nuclear facilities belongs to Silt Loam including a lot of silt and sand. When water was used as a solvent, the higher was the hydraulic conductivity. the higher the efficiency of soil remediation was. The values calculated by the nonequilibrium sorption code agreed with experimental values more exactly than the values calculated by the equilibrium sorption code. When EDTA solution was used as a solvent. the soil remediation efficiency by EDTA solution showed higher than that by water.

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Prediction of Glaze Ice Accretion on 2D Airfoil (2차원 에어포일의 유리얼음 형상 예측 코드 개발)

  • Son, Chan-Kyu;Oh, Se-Jong;Yee, Kwan-Jung
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.38 no.8
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    • pp.747-757
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    • 2010
  • The ice accreted on the airfoil is one of the critical drivers that causes the degradation of aerodynamic performance as well as aircraft accidents. Hence, an efficient numerical code to predict the accreted ice shape is crucial for the successful design of de-icing and anti-icing devices. To this end, a numerical code has been developed for the prediction of glaze ice accretion shape on 2D airfoil. Constant Source-Doublet method is used for the purpose of computational efficiency and heat transfer in the icing process is accounted for by Messinger model. The computational results are thoroughly compared against available experiments and other computation codes such as LEWICE and TRAJICE. The direction and thickness of ice horn are shown to yield similar results compared to the experiments and other codes. In addition, the effects of various parameters - temperature, free-stream velocity, liquid water contents, and droplet diameter - on the ice shape are systematically analyzed through parametric studies.

Material modeling of the temperature rise at high-strain-rate deformation (고변형률 변형하에서 재료 내부의 온도상승 계산을 위한 재료 모델링)

  • Choi, Deok-Kee;Ryu, Han-Kyu
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.32 no.7
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    • pp.60-68
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    • 2004
  • High velocity impacts are accompanied with large deformations, which generate a large amount of heat due to plastic works, resulting in a significant temperature rise of the material. Because the elevated temperature affects the dynamic properties of materials, it is important to predict the temperature rise during high-stram-rate deformations. Both existing vacancies and excess vacancies are credited to the stored energy, yet it is difficult to distinguish one from another in contribution to the stored energy using macroscopic level materials models. In this study, an atomistic material model for fee materials such as copper is set up to calculate the stored energy using molecular dynamics (MD) simulations. It is concluded that excess vacancies play an important role for the stored energy during a high-strain-rate deformation.

Adsorption Behavior of Monosubstituted-Halophenols by Amberlite XAD Resins (Amberlite XAD 수지에 대한 일치환 할로 페놀들의 흡착거동에 관한 연구)

  • Lee, Taek Hyeok;Lee, Dae Un
    • Journal of the Korean Chemical Society
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    • v.34 no.3
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    • pp.267-279
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    • 1990
  • The adsorption mechanisms of phenols on XAD-2 and XAD-7 resins were studied by using the distribution coefficient(log Kd) measured in the optimum adsorption conditions. It was observed that the Langmuir adsorption isotherm, indicating a molecular size-dependent adsorption, was appropriate for characterizing the adsorption behaviors of phenols on XAD-2 and XAD-7 resins. The adsorption energies of phenols on XAD resins were calculated by Lennard-Jones potential equation. In the calculation of the adsorption energy, the molecular radii and dipole moments of the resins and phenols were calculated by their van der Waals volumes and Debye equation, respectively. The stacking factor (F) were determined from the radio of the equilibrium distance to the stacking distance of molecules. In order to explain the adsorption energy calculated from the stacking factor it was compared with the adsorption enthalpy for each of phenols which was experimentally determined by batch adsorption shake method. It was observed that the adsorption enthalpy of phenolate ions on the XAD resins was likely to be more seriously affected by dispersion interaction than by a dipole or a charge interaction.

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Theoretical Studies on the Cationic Polymerization Mechanism of Cyclic Acetals (산 촉매하의 Cyclic Acetals 공중합반응에 관한 분자궤도론적 연구)

  • Young-Gu Cheun;Jae-Kyung Kim
    • Journal of the Korean Chemical Society
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    • v.36 no.2
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    • pp.197-204
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    • 1992
  • The cationic polymerization of cyclic acetals are investigated theoretically using the semiempirical MINDO/3, MNDO, and $AM_1$, methods. The nucleophilicity and basicity of cyclic acetals can be explained by the negative charge on oxygen atom of cyclic acetals. The reactivity of propagation in the polymerization of cyclic acetals can be represented by the positive charge on $C_2$ atom and the low LUMO energy of active species of cyclic acetals. The reactivity of 2-buthyl-1,3-dioxepane(2-Bu-DOP) of cyclic oxonium and opening carbenium ion form is expected computational stability of the oxonium ion by 5${\sim}$7kcal/mole favoring the carbenium ion. Owing to the rapid equilibrium of these cation forms and the reaction coordinate based on calculation that the reaction coordinate based on calculation that the chain growth $S_N1$ mechanism will be at least as fast as that for $S_N2$ mechanism.

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NOx Formation Characteristics of the Coal-derived Synthetic Gas Containing $CH_4$ and $NH_3$ Components (메탄 및 암모니아를 포함하는 석탄 합성가스의 NOx 발생 특성)

  • Lee, Chan
    • Clean Technology
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    • v.14 no.2
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    • pp.117-122
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    • 2008
  • Theoretical analysis was conducted on the combustion and the NOx formation characteristics of the coal-derived synthetic gases with medium-BTU heating value. The synthetic gas was assumed to contain the major species of CO, $H_2,\;CO_2$, and $N_2$ and the minor species of $CH_4$ and $NH_3$. Through thermochemical analysis on the combustion of the synthetic gas, the flame temperature, major and minor species of exhaust gas, and thermal and fuel NOx emissions were computed. In addition, the effects of the $CH_4$ and the $NH_3$ components in syngas fuel on combustion and NOx emission were investigated. Based on the computed results on the synthetic gases, basic direction and guidelines were provided fur the low NOx design of gas turbine combustor.

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