• Bulletin of the Korean Chemical Society
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• 제27권10호
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• pp.1572-1576
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• 2006

A dimeric precursor, $[Cu(dmae)(OCOCH_3)(H_2O)]_2$ for the CVD of copper metal films, (dmaeH = N,N-dimethylaminoethanol) was synthesized by the reaction of copper(II) acetate monohydrate ($Cu(OCOCH_3)_2{\cdot}H_2O$) and dmaeH in toluene. The product was characterized by m.p. determination, elemental analysis and X-ray crystallography. Molecular structure of $[Cu(dmae)(OCOCH_3)(H_2O)]_2$ shows that a dimeric unit $[Cu(dmae)(OCOCH_3)(H_2O)]_2$ is linked to another through hydrogen bond and it undergoes facile decomposition at 300 C to deposit granular copper metal film under nitrogen atmosphere. The decomposition temperature, thermal behaviour, kinetic parameters, evolved gas pattern of the complex, morphology, and the composition of the film were also investigated.

• Journal of Advanced Marine Engineering and Technology
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• 제28권5호
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• pp.818-826
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• 2004

The spray-induced mixing characteristics and thermal decomposition of aqueous urea solution into ammonia have been studied to design optimum sizes and geometries of the mixing chamber in SCR(Selective Catalytic Reduction) system. The cold flow tests about the urea-injection nozzle were performed to clarify the parameters of spray mixing characteristics such as mean diameter and velocity of drops and spray width determined from the interactions between incoming air and injected drops. Discrete particle model in Fluent code was adopted to simulate spray-induced mixing process and the experimental results on the spray characteristics were used as input data of numerical calculations. The simulation results on the spray-induced mixing were verified by comparing the spray width extracted from the digital images with the simulated Particle tracks of injected drops. The single kinetic model was adopted to predict thermal decomposition of urea solution into ammonia and solved simultaneously along with the verified spray model. The hot air generator was designed to match the flow rate and temperature of the exhaust gas of the real engines The measured ammonia productions in the hot air generator were compared with the numerical predictions and the comparison results showed good agreements. Finally, we concluded that the design capabilities for sizing optimum mixing chamber were established.

• Bulletin of the Korean Chemical Society
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• 제30권10호
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• pp.2259-2264
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• 2009

A new high-energy organic potassium salt, 2-(dinitromethylene)-1,3-diazepentane potassium salt K(DNDZ), was synthesized by reacting of 2-(dinitromethylene)-1,3-diazepentane (DNDZ) and potassium hydroxide. The thermal behavior and non-isothermal decomposition kinetics of K(DNDZ) were studied with DSC, TG/DTG methods. The kinetic equation is $\frac{d{\alpha}}{dT}$ = $\frac{10^{13.92}}{\beta}$3(1 - $\alpha$[-ln(1 - $\alpha$)]$^{\frac{2}{3}}$ exp(-1.52 ${\times}\;10^5$ / RT). The critical temperature of thermal explosion of K(DNDZ) is $208.63\;{^{\circ}C}$. The specific heat capacity of K(DNDZ) was determined with a micro-DSC method, and the molar heat capacity is 224.63 J $mol^{-1}\;K^{-1}$ at 298.15 K. Adiabatic time-to-explosion of K(DNDZ) obtained is 157.96 s.

• Bulletin of the Korean Chemical Society
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• 제10권3호
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• pp.262-269
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• 1989

The gas phase thermal decomposition of 1-bromo-3-chloropropane in the presence of radical inhibitor was studied by using the conventional static system. The mechanism of unimolecular elimination channel is shown below. [...] In this scheme, the total molecular dissociation rate constant, ($k_1\;+\;k_2$), for the decomposition of $BrCH_2CH_2CH_2Cl$ was determined by pyrolyzing the $BrCH_2CH_2CH_2Cl$ in the temperature range of $380-420^{\circ}C$ and in the pressure range of 10∼100 torr. To obtain $k_3\;and\;k_4,\;and\;to\;obtain\;k_1\;and\;k_2$ independently, the thermal decompositions of allyl chloride and allyl bromide were also studied. The Arrhenius parameters for each step are as follows; $log\;A_{\infty}\;=\;14.20(sec^{-1}),\;E_a$ = 56.10(kcal/mol) for reaction path 1; $log\;A_{\infty}\;=\;12.54(sec^{-1}),\;E_a$ = 49.75(kcal/mol) for reaction path 2; $log\;A_{\infty}\;=\;13.41(sec^{-1}),\;E_a$ = 50.04(kcal/mol) for reaction path 3; $log\;A_{\infty}\;=\;12.43(sec^{-1}),\;E_a$ = 52.78(kcal/mol) for reaction path 4; Finally, the experimentally observed pressure dependence of the rate constants in each step is compared with the theoretically predicted values that are obtained by the RRKM calculations.

• 한국세라믹학회:학술대회논문집
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• 한국세라믹학회 1986년도 Priceedings Of The Third Korea-Japan Seminar On New Ceramics
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• pp.211-225
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• 1986

Silicon carbide coating has been studied using a graphite substrate, a mixture of tetramethylsilane and hydrogen or argon at deposition temperature (T) of 950 to $1200^{\circ}C$ total pressure of 20 to 50 torr and carrier gas flow rate of 0 to 901/h. Deposition kinetic study has shown that a transition, from a surface reaction limited process to a diffusion limited one, takes place near $1100^{\circ}C$. Deposition rate depends directly upon the experimental parameters. The influence of the main process parameters is also discussed to relate the physiochemical properties of the coating to the deposition conditions.

• Korean Chemical Engineering Research
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• 제52권2호
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• pp.226-232
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• 2014

본 연구에서는 $120{\sim}150^{\circ}C$에서 다양한 산 촉매에 의한 자이란 가수분해 거동을 조사하였다. 또한 자이란에서 자이로스 생성과 자이로스로부터 푸르푸랄 분해에 대한 kinetic 인자를 분석하였다. 높은 반응온도와 산 촉매 농도는 자이란 가수분해와 자이로스 분해를 촉진하였다. 최대 반응속도상수($k_1$)에 대한 가수분해 조건은 산 촉매에 따라 다르게 나타났다. 황산, 옥살산, 말레산 중에서 자이란 반응속도상수($k_1$)는 황산 100 mM로 $120^{\circ}C$에서 반응하였을 때 $0.0241min^{-1}$로 가장 높게 나타났다. 하지만 황산은 옥살산, 말레산과 비교하여 자이로스 분해를 더욱 유도하여 상대적으로 높은 푸르푸랄을 생성하였다. 자이란 분해에 관여하는 활성화 에너지는 황산에서 가장 높게 나타났다.

• 한국물환경학회지
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• 제24권1호
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• pp.63-68
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• 2008

This study was performed to assess the potential use of ozone or UV radiation for the treatment of water contaminated with sulfamethoxazole (SMX), which is frequently used antibiotic in human and veterinary medicines, especially focusing on the kinetic study and effect of pH. In a study using ozone alone, kinetic study was performed to determine second-order rate constant ($k_{O3,SMX}$) for the reactions of SMX with ozone, which was found to be $1.9{\times}10^6M^{-1}s^{-1}$ at pH 7. The removal efficiencies of SMX by ozone were decreased with increase of pH due to rapid decomposition of ozone under the condition of various pH (2.5, 5.3, 7, 8, 10). In a UV irradiation study at 254 nm, a kinetic model for direct photolysis of SMX was developed with determination of quantum yield ($0.08mol\;Einstein^{-1}$) and molar extinction coefficient ($15,872M^{-1}cm^{-1}$) values under the condition of quantum shielding due to the presence of reaction by-products formed during photolysis. For effect of pH on photolysis of SMX, SMX in the anionic state ($S^-$, pH > 5.6), most prevalent form at environmentally relevant pH values, degraded more slowly than in the neutral state (SH, 1.85 < pH < 5.6) by UV radiation at 254 nm.

• 한국추진공학회지
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• 제20권2호
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• pp.46-55
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• 2016

Differential Scanning Calorimetry(DSC) 실험 데이터를 이용하여 고에너지 물질의 반응속도식을 추출해내는 이론적 방법을 제안하고 알루미늄 고함유 화약(RDX/HTPB/Al)에 대한 반응속도식 추출을 수행하였다. DSC 실험 결과는 Friedman 등전환법으로 분석되었다. 질량분율에 따른 활성화에너지와 빈도인자를 추출해 내어 반응속도식을 완성하였다. 추출된 반응속도식은 고에너지 물질의 화학반응과정을 몇 단계의 주요단계로 가정하는 형태가 아닌 전체 화학반응 과정을 나타내는 형태를 갖는다. 이는 기존의 ODTX 실험을 통해 추출되는 화학반응속도식 형태에 비해 이론적 측면과 정확성 측면에서 상당한 장점을 갖는다. 추출된 반응속도식의 검증을 위해 화학반응률 그리고 생성물 질량분율에 대해 DSC 실험과 동일한 조건하에서 전산모사를 수행하였으며 실험값과 잘 일치함을 확인하였다. 또한 완속가열 전산모사를 수행하였으며 실험결과와 비교하여 DSC 반응속도식의 전산모사에의 적용가능성을 확인하였다.

• Journal of Korean Society for Atmospheric Environment
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• 제19권E3호
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• pp.121-127
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• 2003

The characteristics of heterogeneous photocatalytic decomposition were investigated at low concentration level of $O_3$on TiO$_2$for various operating parameters such as: loaded catalyst weight (0∼4 mg/$\textrm{cm}^2$), initial concentration of $O_3$(0.06∼10.0 ppm), gas flow rate (1.0 ∼ 2.5ι/min), and relative humidity (0∼80%). This study was conducted using a flow-type reactor at room temperature. Three kinds of pure TiO$_2$(P25, ST -01, and E- 23) were employed as photocatalyts. It was found that $O_3$removal ratio was identical, regardless of the loaded TiO$_2$weight in the range from 0.5 to 4.0 mg/$\textrm{cm}^2$. It was also found that higher initial ozone concentration results in greater oxidation rate of ozone and experimental data show kinetically a good agreement with Langmur-Hinshelwood kinetic model. We also observed that the removal ratio of $O_3$increases linearly with the increasing flow rate and also with the increasing relative humidity for each catalyst.

• 상하수도학회지
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• 제18권6호
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• pp.731-741
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• 2004

The purpose of this study was to evaluate the potential of a gamma ray irradiation to decompose hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in an aqueous solution. The decomposition reaction of RDX by gamma ray irradiation was a first-order kinetic over the applied initial concentrations (10-40mg/L). The dose constant was strongly dependent on the initial concentration of the RDX. The removal of RDX was more efficient at pH below 3 and at pH above 11 than at neutral pH (pH 5-9). The required irradiation dose to remove 99% of the RDX (40mg/L) was 4, 8 and 1 kGy, at pH 2, 7 and 13, respectively. The dose constant was increased by two folds and over twelve folds at pH 2 and 13, respectively, when compared with that at pH 7. When an irradiation dose of 20 kGy was applied, the removal efficiencies of TOC were 80, 57 and 91% at pH 2, 7 and 13, respectively. Ammonia and nitrate were detected as the main nitrogen byproducts of RDX and formic acid was detected as an organic byproduct. The results showed that a gamma ray irradiation was an attractive method for the decomposition of RDX in an aqueous solution and it was found that a strong alkaline pH over 12 should be applied to the decomposition reaction of RDX.