• 한국대기환경학회지
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• 제34권1호
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• pp.56-75
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• 2018

Korean Photochemical Assessment Monitoring Stations (PAMS) have been established since the late 2001 to monitor ambient air concentrations of VOC species, which would enhance understanding photo-chemical formation of ozone and subsequently contribute to developing efficient ozone control strategies. The present study aims at identifying major VOC species and examining their trends by analyzing PAMS monitoring data collected from the year 2006 to 2016. All the 18 PAMS sites operated by the Ministry of Environment were included in the study. PAMS monitored the 56 target VOC species, which are classified into four groups, alkenes, lower alkanes ($C{\leq}3$), higher alkanes ($C{\geq}4$), aromatics. The higher alkanes and aromatics dominated over the lower alkanes and alkenes in the type 2 and 3 PAMS sites except Joongheung site. N-butane was a major alkane species, toluene was a major aromatic species and most of VOCs showed decreasing trends in these sites. On the other hand, only the alkenes showed decreasing trends at the Joongheung site in Yeosu. Major sources of abundant species such as ethane, propane, n-butane, toluene were estimated by analyzing seasonal variations, correlation with other VOC species, and emission profiles. A major source of n-butane was identified as LPG cars, while major sources of toluene varied considerably from one site to another. The lower alkanes were composed of ethane and propane, both of which showed a strong seasonal variation, low in the summer and high in the winter, indicating that a major source might be the heating by gaseous fuels. Ozone formation potentials of VOC species were evaluated by applying MIR and POCP to the measured VOC species concentrations. Toluene contributed the most to total ozone forming potentials followed by m,p-xylene for all the type 2 and 3 PAMS sites except for two sites in Yeosu-Gwangyang. Ethylene and propylene were the first and second contributors to total ozone forming potentials at Joongheung site in Yeosu.

• 공업화학
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• 제17권5호
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• pp.451-457
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• 2006

$CrCl_{3}$를 $NH_{3}$와 반응시켜 약 $850^{\circ}C$에서 표면적이 높은 단일 상 CrN 촉매를 합성하였다. 열질량분석을 통해 고체상 화학변이가 발생하는 온도를 파악하였고 물질의 상을 XRD로 분석하였다. 합성물질의 표면적, 결정크기 등을 분석하였고 합성변수의 영향을 확인하였다. 합성된 질화물의 표면적은 $12{\sim}47m^2/g$이었다. 공간속도는 표면적 증가에 약하게나마 영향을 미쳤는데 반응중간생성물의 빠른 제거가 표면적을 높이는데 기여하는 것으로 파악되었다. 승온환원반응 분석 결과 CrN은 비활성화(passivation)시 거의 산화되지 않아 수소분위기에서의 환원이 거의 일어나지 않았으며 약 $700^{\circ}C$와 $950^{\circ}C$ 부근에서 결정격자 중의 질소가 $N_{2}$로 분해되었다. 공기분위기에서 10 K/min의 속도로 가열하면 $300^{\circ}C$ 이후의 온도에서 산화가 진행되어 $800^{\circ}C$ 부근에서 $Cr_{2}O_{3}$ 상이 형성되기 시작하였으며 $900^{\circ}C$에서도 완전히 산화되지 않았다. 부탄과 피리딘을 이용한 활성실험 결과 CrN 촉매는 탈수소반응에 선택적으로 높은 활성을 가졌으며 수첨탈질이나 수소분해반응 활성은 거의 없었다. 부탄의 탈수소반응에서 부피반응속도는 상용 촉매인 $Pt-Sn/Al_{2}O_{3}$보다 우수하였다.

• Bulletin of the Korean Chemical Society
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• 제27권11호
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• pp.1737-1740
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• 2006

The optimized structures and complexation energies of bis(18-crown-6-ether) analogue (2) of Trgers base (1) with a series of primary alkylbisammonium ions have been calculated by DFT B3LYP/6-31G(d,p) method. The calculated complexation efficiency (-142.84 kcal/mol) of 2 for butane-1,4-diylbisammonium guest is better than twice of the value (-61.40 kcal/mol) for butylammonium ion. The multiple hydrogen-bond abilities for the complexes are described as the function of the length of the alkyl substituents of the bisammonium guests with normal-alkyl chain [$-(CH_2)_{n-}$, n = 4-8]. The longer bisammonium guest shows the stronger hydrogen-bonding characterizations (the distance and the quasi-linear angle of the N-H…O) to the host 2 than the shorter bisammonium ions. These calculated results agree with the experimental data of the complexation of 2 with bisammonium salts ([$NH_3(CH_2)_nNH_3$] $Cl_2$).

• 한국대기환경학회:학술대회논문집
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• 한국대기환경학회 2007년도 추계학술대회 논문집
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• pp.251-252
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• 2007

• Journal of Korean Society for Atmospheric Environment
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• 제19권E3호
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• pp.129-136
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• 2003

Effects of inorganic aerosols on the kinetics of the hydroxyl radical reactions with selected aliphatic alkanes have been investigated using the relative rate technique. The relative rates in the absence and presence of aerosols were determined for n-butane, n-pentane, n-hexane, n-octane, and n-decane. P-xylene was used as a reference compound. Inorganic aerosols including (NH$_4$)$_2$SO$_4$, NH$_4$NO$_3$, and NaCl aerosols at two different aerosol concentrations that are typical of polluted urban conditions were tested. Total surface areas of aerosols were 1400 (Condition I) and 3400 $\mu$$m^2$ cm$^{-3}$ (Condition II). Significant changes in the relative rates in the presence of the inorganic aerosols were not observed for the n-butanel/$.$OH, n-pentanel/$.$OH, n-hexanel/$.$OH, n-octanel/$.$OH, and n-decanel/$.$OH reactions versus p-xylenel/$.$OH reaction. These results suggest that the promoting effects depend on the semiconducting property of the aerosols and the nature of the organic compounds.

• Journal of Microbiology and Biotechnology
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• 제26권7호
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• pp.1320-1332
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• 2016

Light hydrocarbons accumulated in subsurface soil by long-term microseepage could favor the anomalous growth of indigenous hydrocarbon-oxidizing microorganisms, which could be crucial indicators of underlying petroleum reservoirs. Here, Illumina MiSeq sequencing of the 16S rRNA gene was conducted to determine the bacterial community structures in soil samples collected from three typical oil and gas fields at different locations in China. Incubation with n-butane at the laboratory scale was performed to confirm the presence of "universal microbes" in light-hydrocarbon microseepage ecosystems. The results indicated significantly higher bacterial diversity in next-to-well samples compared with background samples at two of the three sites, which were notably different to oil-contaminated environments. Variation partitioning analysis showed that the bacterial community structures above the oil and gas fields at the scale of the present study were shaped mainly by environmental parameters, and geographic location was able to explain only 7.05% of the variation independently. The linear discriminant analysis effect size method revealed that the oil and gas fields significantly favored the growth of Mycobacterium, Flavobacterium, and Pseudomonas, as well as other related bacteria. The relative abundance of Mycobacterium and Pseudomonas increased notably after n-butane cultivation, which highlighted their potential as biomarkers of underlying oil deposits. This work contributes to a broader perspective on the bacterial community structures shaped by long-term light-hydrocarbon microseepage and proposes relatively universal indicators, providing an additional resource for the improvement of microbial prospecting of oil and gas.

• 공업화학
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• 제10권3호
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• pp.467-476
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• 1999

공기에 의한 n-butane의 산화로부터 무수마레인산을 합성하는 고정층 촉매 반응기의 거동을 조사하였다. 대류-확산-반응기구로 묘사되는 고정층 촉매반응기의 거동은 Langmuir-Hinshelwood형의 반응속도식 및 비정상상태 이차원 유사균일상 모델을 적용 조사하였다. 예측모델은 Sharma의 pilot-plant 실험 결과인 단일층 반응기의 축방향 온도 및 수율 분포에 대한 최적적합을 통한 최적매개변수 추정에 의해 구성하였다. 또한 예측모델은 단일층 반응기와 통일한 수율 및 전화율을 생성시킬 수 있도록 모사된 불균열활성의 이중층 반응기가 열점에서 $8.96^{\circ}C$ 낮은 온도 상승을 일으켰다. 단일과 이중층 반응기의 가능한 조업조건 (냉매온도, 반응물의 농도, 온도 및 유량)변화에 대한 매개변수 감응도를 조사한 결과 동일한 조업 조건하에서 이중층 반응기가 단일층 반응기에 비해 더 넓은 조업범위는 물론 전화율 및 수율이 다소 높게 나타났다.

• Bulletin of the Korean Chemical Society
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• 제26권1호
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• pp.38-42
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• 2005

Bis(2-methylbenzaldehyde)butane-2,3-dihydrazone(TDSB) was used as new N-N Schiff's base which plays the role of an excellent ion carrier in the construction of a La(III) membrane sensor. The best performance was obtained with a membrane containing, 30% poly(vinyl chloride), 60% benzyl acetate, 6% TDSB and 4% sodium tetraphenyl borate. This sensor reveals a very good selectivity towards La(III) ions over a wide variety of cations, including alkali, alkaline earth, transition and heavy metal ions. The proposed electrode exhibits a Nernstian behavior (with slope of 19.8 mV per decade) over a wide concentration range (1.0 ${\times}$ 10$^{-5}$-1.0 ${\times}$ 10$^{-1}$ M). The detection limit of the sensor is 7.0 ${\times}$ 10$^{-6}$ M. It has a very short response time, in the whole concentration range ($\sim$5 s), and can be used for at least twelve weeks in the pH range of 3.0-9.4. The proposed sensor was successfully applied as an indicator electrode for the potentiometric titration of a La(III) solution, with EDTA. It was also successfully applied in the determination of fluoride ions in three mouth wash preparations.

• Bulletin of the Korean Chemical Society
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• 제18권5호
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• pp.501-509
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• 1997

In recent papers[Bull. Kor. Chem. Soc. 1996, 17, 735; ibid 1997, 18, 478] we reported results of molecular dynamics (MD) simulations for the thermodynamic, structural, and dynamic properties of liquid normal alkanes, from n-butane to n-heptadecane, using three different models. Two of the three classes of models are collapsed atomic models while the third class is an atomistically detailed model. In the present paper we present results of MD simulations for the corresponding properties of liquid branched-chain alkanes using the same models. The thermodynamic property reflects that the intermolecular interactions become weaker as the shape of the molecule tends to approach that of a sphere and the surface area decreases with branching. Not like observed in the straight-chain alkanes, the structural properties of model Ⅲ from the site-site radial distribution function, the distribution functions of the average end-to-end distance and the root-mean-squared radii of gyration are not much different from those of models Ⅰ and Ⅱ. The branching effect on the self diffusion of liquid alkanes is well predicted from our MD simulation results but not on the viscosity and thermal conductivity.

• 대한화학회지
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• 제32권4호
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• pp.390-405
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• 1988

n-Heptane, n-Octane, n-Decane, 2,3-Dimethyl Butane을 chlorination agent인 N-chlorosuccinimide, tert-Butylhypochloride, Trichloromethanesulfonylchloride, Carbontetrachloride, Trichloromethanesulfenyl chloride, Phosphorous pentachloride Chlorine등으로 benzene 또는 $CS_2$ 용매중에서 염소화시킬때 생기는 Mono-chloro alkane의 이성질화 혼합물을 정량적으로 고찰하였다. 여기에서 파라핀계 탄화수소의 치환비율에 대한 지금까지 알려진 사실과 일치하지 않는 놀라운 이성질화 분포(Isomerization distribution)를 확립하였다. 이러한 결과는 극성효과를 갖는 공격하는 라디칼의 free energy, 그리고 alkane의 개개의 수소 원자가 지니는 여러가지 서로다른 C-H bond 해리에너지의 상호작용을 통하여 얻어졌다.