• Title/Summary/Keyword: Kinetic decomposition

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Comparative Assessment of the Half-lives of Benfuresate and Oxolinic Acid Estimated from Kinetic Models Under Field Soil Conditions (포장조건에서 Kinetic Models로부터 산출한 Benfuresate 및 Oxolinic Acid의 토양중 반감기 비교평가)

  • Yang, Jae-E.;Park, Dong-Sik;Han, Dae-Sung
    • Korean Journal of Environmental Agriculture
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    • v.14 no.3
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    • pp.302-311
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    • 1995
  • Benfuresate or oxolinic acid, as an experimental pesticide, was applied to the different textural paddy or upland soil respectively under the field condition and the residual concentrations were determined. Six kinetic models were employed to characterize the best-fit kinetic model describing the residual pattern of benfuresate or oxolinic acid and the $t\frac{1}{2}$ estimated from each model was comparatively assessed. All of the six models explained significantly the residual patterns of the pesticides but the empirical models such as PF, EL, and PB were not recommendable for the $t\frac{1}{2}$ estimation. Among theoretical models, the residual patterns were followed in the orders of the second-order(SO)>first-order(FO)>zero-order(ZO) kinetics, judging from the size and significance of coefficient of determination and standard error. However, the multiple FO model, consisting of the fast and slow decomposition steps, was better than the single FO model for the residual pattern and the $r^2$ in this case became similar to that of SO kinetic model. Thus the multiple FO and SO models were represented as the best fit model of the experimental pesticide. The $t\frac{1}{2}$ of benfuresate estimated from the single FO kinetic model in Weolgog and Cheongwon series was 49 and 63 days, respectively, which were 20 and 13% longer than the respective $t\frac{1}{2}$ from the SO kinetic model. The $t\frac{1}{2}$ of oxolinic acid from the FO model in Yonggye and Ihyeon series were 87 and 51% longer than those from the SO kinetic model, respectively. These results demonstrated that the best-fit model representing the residual pattern of a pesticide and the resultant $t\frac{1}{2}$ might be variable with the kinds of pesticides and the environmental conditions. Therefore it is recommended that the half-life of a pesticide be assessed from the best-fit model rather than from the FO kinetic model uniformly.

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Nonisothermal Decomposition Reaction Kinetics, Specific Heat Capacity, Thermodynamic Properties and Adiabatic Time-to-explosion of 4-Amino-1,2,4-triazole Copper Complex

  • Ren, Yinghui;Li, Dan;Yi, Jianhua;Zhao, Fengqi;Ma, Haixia;Xu, Kangzhen;Song, Jirong
    • Bulletin of the Korean Chemical Society
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    • v.31 no.7
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    • pp.1988-1992
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    • 2010
  • 4-Amino-1,2,4-triazole copper complex (4-ATzCu) was synthesized, and its thermal behaviors, nonisothermal decomposition reaction kinetics were studied by DSC and TG-DTG techniques. The thermal decomposition reaction kinetic equation was obtained as: $d\alpha$ / dt =$10^{22.01}$ (1-$\alpha$)[-ln(1-$\alpha$)]$^{1/3}$ exp($-2.75\times10^4$ /T). The standard mole specific heat capacity of the complex was determined and the standard molar heat capacity is 305.66 $J{\cdot}mol^{-1}{\cdot}K^{-1}$ at 298.15 K. The entropy of activation $({\Delta}S^{\neq})$, enthalpy of activation $({\Delta}H^{\neq})$, and Gibbs free energy of activation $({\Delta}G^{\neq})$ are calculated as 171.88 $J{\cdot}mol^{-1}{\cdot}K^{-1}$ 225.81 $kJ{\cdot}mol^{-1}$ and 141.18 $kJ{\cdot}mol^{-1}$, and the adiabatic time-to-explosion of the complex was obtained as 389.20 s.

Thermal Decomposition and Ablation Analysis of Solid Rocket Propulsion (삭마 및 열분해 반응을 고려한 고체 추진기관의 열해석)

  • Kim, Yun-Chul
    • Journal of the Korean Society of Propulsion Engineers
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    • v.14 no.5
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    • pp.32-44
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    • 2010
  • A two-dimensional thermal response and ablation analysis code for predicting charring material ablation and shape change on solid rocket nozzle is presented. The thermogravimetric analysis (TGA) techniques have been used to characterize the thermal decomposition constants for Arrhenius parameters. Two heterogeneous reactions involving carbon and the oxidizing species of $H_2O$ and $CO_2$ are considered and determined by Zvyagin's ablation model and kinetic constants. The moving boundary problem and mesh moving are solved by remeshing-rezoning method in MSC-Marc-ATAS program. The difference between the calculated and experimental value of char and ablation thickness is up to 20%. For the performance prediction of thermal protection systems, this method will be integrated with a three-dimensional finite-element thermal and structure analysis code through the real time sensing of in-depth temperature and heat flux.

Analysis of the Unstable Propeller Wake Using POD Method (POD(Proper Orthogonal Decomposition) 방법을 이용한 불안정한 프로펠러 후류 해석)

  • Paik, Bu-Geun;Kim, Kyung-Youl;Kim, Ki-Sup;Lee, Jung-Yeop;Lee, Sang-Joon
    • Journal of the Society of Naval Architects of Korea
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    • v.47 no.1
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    • pp.20-29
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    • 2010
  • The complicated flow characteristics of upper propeller wake influenced by hull wake are investigated in detail in the present study. A two-frame PIV (particle image velocimetry) technique was employed to visualize the upper propeller wake region. As the upper hull wake affects strongly propeller inflow, upper propeller wake shows much unstable vortical behavior, especially in the tip vortices. Velocity field measurements were conducted in a cavitation tunnel with a simulated hull wake. Generally, the hull wake generated by the hull of a marine ship may cause different loading distributions on the propeller blade in both upper and lower propeller planes. The unstable upper propeller wake caused by the ship's hull is expressed in terms of turbulent kinetic energy (TKE) and is identified by using the proper orthogonal decomposition (POD) method to characterize the coherent flow structure in it. Instabilities appeared in the eigen functions higher than the second one, giving unsteadiness to the downstream flow characteristics. The first eigen mode would be useful to find out the tip vortex positions immersed in the unstable downstream region.

Thermal Decomposition Behavior of Boron-Potassium Nitrate (BKNO3) by TGA (열중량분석법에 의한 Boron-Potassium Nitrate(BKNO3)의 열분해 특성 연구)

  • Go, Cheongah;Kim, Junhyung;Park, Youngchul;Moon, Youngtaek;Seo, Taeseok;Ryu, Byungtae
    • Journal of the Korean Society of Propulsion Engineers
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    • v.23 no.2
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    • pp.104-110
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    • 2019
  • The thermal decomposition characteristics of boron-potassium nitrate ($BKNO_3$) were investigated by non-isothermal thermal gravimetric analysis (TGA). Two steps of mass loss were observed in the temperature range between room temperature and $600^{\circ}C$. Kinetic parameters of the thermal decompositions were evaluated from the measured TGA curves using the AKTS Thermokinetics Software. For the first step of mass loss ($220-360^{\circ}C$) corresponding to the thermal decomposition process of the binder (Laminac/Lupersol), the activation energy is in the range of approximately 120-270 kJ/mol when evaluated by Friedman's iso-conversional method, while the value of activation energy varies in the range of approximately 150-400 kJ/mol during the second step process ($360-550^{\circ}C$).

Formation Fe2O3 Nanowalls through Solvent-Assisted Hydrothermal Process and Their Application for Titan Yellow GR Dye Degradation

  • Ahmed, Khalid Abdelazez Mohamed
    • Journal of the Korean Chemical Society
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    • v.58 no.2
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    • pp.205-209
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    • 2014
  • Hematite iron oxide (${\alpha}$-$Fe_2O_3$) nanowalls were fabricated on aluminum substrate by a facile solvent-assisted hydrothermal oxidation process. The XRD and EDS patterns indicate that the sample has a rhombohedral phase of hematite $Fe_2O_3$. FE-SEM, TEM, HR-TEM, SA-ED were employed to characterize the resulting materials. $N_2$ adsorption-desorption isotherms was used to study a BET surface area. Their capability of catalytic degradation of titan yellow GR azo dye with air oxygen in aqueous solution over $Fe_2O_3$ catalysts was studied. The result indicates that the as-prepared product has a high catalytic activity, because it has a larger surface area. Langmuir and Freundlich isotherms of adsorption dye on the catalysts surface were investigated and the decomposition of titan yellow GR follows pseudo-first order kinetic.

Non-isothermal Behavior of Calcium Carbonate (탄산칼슘의 비등온 열적거동)

  • Sohn, Yong-Un;Lim, Jae-Won;Choi, Good-Sun
    • Journal of Powder Materials
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    • v.16 no.3
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    • pp.167-172
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    • 2009
  • This study has been carried out to investigate the non-isothermal behaviors and kinetic parameter of calcium carbonate by different thermal analysis methods. At the heating rate of $10^{\circ}C$/min, the onset calcination temperature, the peak and final temperatures of calcium carbonate were $612^{\circ}C$, $748^{\circ}C$, and $890^{\circ}C$ respectively. As the heating rate of the calcium carbonate increased from $5^{\circ}C$/min to $20^{\circ}C$/min, the peak temperature increased from $719^{\circ}C$ to $782^{\circ}C$. The activation energies of the calcium carbonate calculated by the methods of Kissinger and Freeman-Carroll were 40.15 kcal/mol and 43.47 kcal/mol, respectively.

Carbon Containing Compositions

  • Mansurova, R.M.;Mansurov, Z.A.;Soh, Deawha
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2001.07a
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    • pp.335-338
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    • 2001
  • With the use of the electron microscopy and X-ray phase analysis the regularities of carbon deposit formation in process of methane and propane pyrolysis on the zeolites, Kazakhstan natural clays, chrome and bauxite sludge containing metal oxides of iron subgroup, have been studied. In process of over-carbonization the trivalent iron was reduced to metal form. In addition, the carbon tubes of divers morphology had been impregnated with ultra-dispersed metal particles. The kinetic parameters of carbon formation in process of methane decomposition on the zeolite CoO mixture surface were investigated by method of thermo-gravimetric analysis. The morphology and structure of formed carbon fibrils, with the metal particles fixed at their ends, have been investigated, the formation of branched carbon fibrils pattern, so called octopus, being found.

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Carbon Containing Compositions

  • Mansurova, R.M.;Mansurov, Z.A.
    • Transactions on Electrical and Electronic Materials
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    • v.2 no.2
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    • pp.5-15
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    • 2001
  • The experiment established optimal conditions for over-carbonization. With the use of the electron microscopy and X-ray phase analysis the regularities of carbon deposit formation in process of methane and propane pyrolysis on the zeolites, Kazakhstan natural clays, chrome and bauxite sludge containing metal oxides of iron subgroup, have been studied. In process of over-carbonization the trivalent iron was reduced to metal form. In addition, the carbon tubes of divers morphology had been impregnated with ultra-dispersed metal particles. The kinetic parameters of carbon formation in process of methane decomposition on the zeolite - CoO mixture surface were investigated by method of thermo-gravimetric analysis. The morphology and structure of formed carbon fibrils, with the metal particles fixed at their ends, have been investigated, the formation of branched carbon fibrils pattern, so called octopus, being found. Also, the walnut shells and grape kernel carbonization, their immobilization by the cells of selective absorption of heavy metal and sulfur dioxide ions have been studied. The example of metal-carbon composites used as adsorbents for wastewater purification, C$_3$- C$_4$ hydrocarbon cracking catalysts and refractory materials with improved properties have been considered.

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III-V 삼상 화합물 반도체의 분자선 결정성장법에서의 열역학적 고찰

  • O, Won-Ung;O, Jae-Eng;Baek, Su-Hyun
    • ETRI Journal
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    • v.13 no.4
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    • pp.42-51
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    • 1991
  • MBE 성장시 기판 표면에서의 성장과정을 운동론적 지배과정과 열역학적 지배과정으로 나누어 성장모델을 제시하였으며, 화학적 평형상태에서의 열역학이 III-V compound의 성장속도와 composition 에 미치는 영향을 기존의 보고된 결과 데이터와 비교 분석하였다. 특히 miscibility gap 내에 존재하는 III-V ternary compound의 경우 박막의 성질 및 소자의 특성에 영향을 미치는 alloy clustering은 저온 성장시 surface kinetics에 의해, 고온성장시에는 열역학적 spinodal decomposition에 의해 결정됨을 알수 있었다. 열역학적 모델에서는 기판과 layer사이의 lattice mismatch와 재료의 elastic coefficient의 함수인 additive strain Gibbs free energy, 그리고 ternary solid solution의 regular behavior를 가정하여 ternary alloy의 mixing에 기인한 excess Gibbs free energy를 고려하였다.

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