• 한국자동차공학회논문집
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• 제21권2호
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• pp.37-44
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• 2013

Generally, a reduced chemical mechanism of n-heptane is used as chemical fuel of a 3-D diesel engine simulation because diesel fuel consists of hundreds of chemical components and various chemical classes so that it is very complex and large to use for the calculation. However, the importance of fuel in a 3-D simulation increases because detailed fuel characteristics are the key factor in the recent engine research such as homogeneous charged compression ignition engine. In this study, normal paraffin, iso paraffin and aromatics were selected to represent diesel characteristics and n-dodecane was used as a representative normal paraffin to describe the heavy molecular weight of diesel oil (C10~C20). Reduced kinetics of iso-octane and toluene which are representative species of iso paraffin and aromatics respectively were developed in the previous study. Some species were selected based on the sensitivity analysis and a mechanism was developed based on the general oxidation scheme. The ignition delay times, maximum pressure and temperature of the new reduced n-dodecane chemical mechanisms were well matched to the detailed mechanism data.

• Carbon letters
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• 제6권1호
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• pp.1-5
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• 2005

Isotropic pitch based carbon fibers were exposed to isothermal oxidation in carbon dioxide gas to study the activation kinetics under the temperature of 800~$1100^{\circ}C$. The kinetic equation $f=1-{\exp}(-at^b)$ was introduced and the constant b was obtained in the range of 0.92~1.25. It was shown that the activated carbon fiber shows the highly specific surface area (SSA) when the constant b comes close to 1. The activation kinetics were evaluated by the reaction-controlling regime (RCR) according to changes of the apparent activation energy with changes of the conversion. It was observed that the activation energies increase from 47.6 to 51.2 kcal/mole with the conversion increasing from 0.2 to 0.8. It was found that the pores of the activated carbon fiber under the chemical reaction were developed well through the fiber.

• 센서학회지
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• 제3권2호
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• pp.16-23
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• 1994

오염수에서 유기인 화합물을 측정하기 위해 개발된 광섬유 바이오센서의 신호의 분석과 최적설계를 위하여 센서에 사용되어진 AChE효소(acetylcholinesterase)의 반응, 반응기 내의 유체거동 및 물질전달현상의 해석이 필요하다. 사용되어진 센서의 반응기 부분을 해석하고 재설계하기 위하여 효소 반응을 연구하고, 이동현상학적으로 유체 및 물질확산 현상을 해석하여 반응기 모델을 성립하였다. 사용되어진 유기인 화합물에 의해 저해되는 AChE효소의 측정범위인 0-2 ppm 사이에서 저해반응을 실험하였으며, 비가역 저해 효소 반응식을 제안하였다. 반응기를 두상 즉 벌크상과 효소층으로 나누어 유체거동을 해석하였으며, 고정화겔 내의 확산의 영향을 조사하였다. 반응식, 유체거동식 및 확산식을 연계하여 세워진 반응기 전체모델을 제시하였고, 이를 이용하여 신호를 해석하였다. 제시된 모델을 이용하여 효소량, 효소층의 두께의 증가에 따른 센서 신호량의 민감도를 전산모사하였다.

• 공업화학
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• 제9권7호
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• pp.1079-1084
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• 1998

우레탄 생성반응의 동역학을 조사하기 위해 지방족 이소시아네이트인 4,4'-dihexyl methane diisocyanate($H_{12}MDI$)와 1 관능기 알코올인 n-hexanol간의 반응을 실험적 측정과 수학적 모델링을 통해 연구하였다. 실험은 dibutyltin dilaurate(DBTDL)을 촉매로, 톨루엔을 용매로 온도, 촉매농도, [NCO]/[OH] 비 등을 변화시키면서 실시하였고, 반응동역학은 NCO기와 OH기의 반응에 의한 우레탄 생성반응 및 NCO기와 우레탄간의 반응에 의한 allophanate 생성반응 등 2가지 2차반응식으로 모사하였다. 반응속도상수는 Runge-Kutta 4th order 방법에 의한 전산모사방법으로 계산하였다. 대부분의 조건에서 실험치와 계산치가 잘 일치하여 본 연구에서 제안하는 반응 모델과 속도상수 계산방법이 적절함을 알 수 있었다. 또한 NCO기 90% 전환율에서 allophante/urethane의 비를 계산하였는데 대부분의 조건에서 20% 이상의 높은 값이 얻어져 allophanate 생성반응이 우레탄 물성에 중요한 영향을 미칠 수 있음을 알 수 있었다.

• Asian-Australasian Journal of Animal Sciences
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• 제18권6호
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• pp.812-815
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• 2005

This study was conducted to see the influence of additives and fermentation periods on Mott grass silage (MGS) characteristics, its chemical composition and to compare the digestion kinetics of Mott grass (MG) and MGS in Nili buffaloes. Mott grass chopped with a locally manufactured chopper was ensiled using two additives, cane molasses and crushed corn grains each at 2, 4 and 6% of forage DM for 30 and 40 days in laboratory silos. The pH, lactic acid concentration, dry matter (DM), crude protein and fiber fractions of MGS were not affected by the type or level of additive and fermentation periods. The non-significant pH lactic acid concentration, and chemical composition of MGS indicated that the both molasses and crushed corn were utilized at similar rate for the growth of lactic acid bacteria and production of organic acids. The MG ensiled with molasses at 2% of fodder DM for 30 days was screened out for in situ digestion kinetics in Nili buffaloes. Ruminal DM and neutral detergent fiber (NDF) degradabilities of MGS were significantly (p<0.05) higher than that of MG. The DM and NDF rate of degradation, lag time and extent of degradation was nonsignificant between MGS and MG. The higher ruminal degradation of DM and NDF of MGS than MG was probably a reflection of fermentation of MG during ensilation that improved its degradability by improving the availability of easily degradable structural polysaccharides to ruminal microbial population. The results in the present study have indicated that MG ensiled with either 2% molasses or 2% crushed corn for 30 days has better nutritive value for buffalo.

• Bulletin of the Korean Chemical Society
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• 제27권10호
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• pp.1659-1663
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• 2006

A many-body master equation is constructed by incorporating stochastic terms responsible for chemical reactions into the many-body Smoluchowski equation. Two forms of Langevin-type of memory equations describing the time evolution of dynamical variables under the influence of time-independent perturbation with an arbitrary intensity are derived. One form is convenient in obtaining the dynamics approaching the steady-state attained by the perturbation and the other in describing the fluctuation dynamics at the steady-state and consequently in obtaining the linear response of the system at the steady-state to time-dependent perturbation. In both cases, the kinetics of statistical averages of variables is found to be obtained by analyzing the dynamics of time-correlation functions of the variables.

• Archives of Pharmacal Research
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• 제17권5호
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• pp.378-380
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• 1994

The hydrolysis of metampicillin to ampicillin was investigated using high perofrmance liquid chromatography. We developed the simultaneous determination of metampicillin and ampicilin using a Zorbox CN column and 5% acetonitrile and 8% methanol in 0.02 M phosphate buffer (pH 7.0) as mobile phase. Matampicillin was hdyrolyzed to ampicillin with half life of 41.5 min at physiological pH and temperature. In acdic pH, metampicillin was rapidly hydrolyzed to ampicillin within a chromatogrphic separation.

• Biotechnology and Bioprocess Engineering:BBE
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• 제8권5호
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• pp.291-293
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• 2003

Batch reactors were employed to investigate the kinetics of cellulose hydrolysis under extremely low acid (ELA) and high temperature condition. The sawdust was pretreated by Auto-hydrolysis prior to the batch reaction. The maximum yield of glucose obtained from the batch reactor experiment was about 70% for the pretreated sawdust, this occurred at 210 and 22$0^{\circ}C$. The maximum glucose yield from the untreated sawdust was much lower at these temperatures, about 55%. The maximum yields of glucose from the lignocellulosics were obtained between 15th and 20th minutes after which gradual decrease was observed.

• 대한화학회지
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• 제16권2호
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• pp.84-92
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• 1972

A mechanism for the ring formation of nickel phthalocyanine (Ni-Pc) has been proposed based on chemical kinetics. The effect of the catalyst on the rate was examined, and ammonium molybdate has been found to be the most effective. The reaction order of the ring formation was determined to be of the 1st order over all, with only the concentration of urea affecting the rate of the ring formation. All the results including thermodynamic parameters support a conclusion that the rate-determining step seems to be the enolization of the urea-catalyst transition complex, followed by fast decomposition of the tautomeric enolized urea into ammonia and isocyanic acid. These intermediates then reacted with the phthalic anhydride to form imino and diimino-phthalimide, which condense to form nickel phthalocyanine in the presence of the nickel cation.

• Bulletin of the Korean Chemical Society
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• 제32권3호
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• pp.993-999
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• 2011

The photoreactive prepolymers with multifunctional cinnamate and bisphenol Atype cinnamate groups that could perform photodimerization without photoinitiators were synthesized by the reaction of t-cinnamic acids (CAs) and epoxy resins. Their photocure reaction rates and the extent of reaction conversion were measured with Fourier transform infrared spectroscopy, and these increased with the intensity of UVirradiation. The experimental data of these reaction rates showed the characteristics of nth-order kinetics reaction, and all kinetic constants of each photoreactive polymer with this equation were summarized. Although the GTR-1800-HCA and KWG1-EP-HCA with hydroxyl group substituted cinnamate showed lower reaction conversion rates and rate constant than GTR-1800-CA and KWG1-EP-CAwith an unsubstituted cinnamate group, GTR-1800-MCAand KWG1-EP-MCAwith methoxy group substituted cinnamate showed similar and higher reaction conversion rates than the former, respectively. These results were explained in terms of segmental mobility for photopolymerization by molecular interactions.