• Journal of Korean Society for Atmospheric Environment
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• v.34 no.1
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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.

• Applied Chemistry for Engineering
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• v.17 no.5
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• pp.451-457
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• 2006

We synthesized phase pure CrN having surface areas up to $47m^2/g$ starting from $CrCl_{3}$ with $NH_{3}$. Thermal Gravimetric Analysis coupled with X-ray diffraction was carried out to identify solid state transition temperatures and the phase after each transition. In addition, the BET surface areas, pore size distributions, and crystalline diameters for the synthesized materials were analyzed. Space velocity influenced a little to the surface areas of the prepared materials, while heating rate did not. We believe it is due to the fast removal of reaction by-products from the system. Temperature programmed reduction results revealed that the CrN was hardly passivated by 1% $O_{2}$. Molecular nitrogen was detected from CrN at 700 and $950^{\circ}C$, which may be from lattice nitrogen. In temperature programmed oxidation with heating rate of 10 K/min in flowing air, oxidation started at or higher than $300^{\circ}C$ and resulting $Cr_{2}O_{3}$ phase was observed with XRD at around $800^{\circ}C$. However the oxidation was not completed even at $900^{\circ}C$. CrN catalysts were highly active for n-butane dehydrogenation reaction. Their activity is even higher than that of a commercial $Pt-Sn/Al_{2}O_{3}$ dehydrogenation catalyst in terms of volumetric reaction rate. However, CrN was not active in pyridine hydrodenitrogenation.

• Bulletin of the Korean Chemical Society
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• v.27 no.11
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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 ([$NH_3(CH_2)_nNH_3$] $Cl_2$).

• Proceedings of the Korea Air Pollution Research Association Conference
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• 2007.10a
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• pp.251-252
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• 2007

• Journal of Korean Society for Atmospheric Environment
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• v.19 no.E3
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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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• v.26 no.7
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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.

• Applied Chemistry for Engineering
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• v.10 no.3
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• pp.467-476
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• 1999

This paper analyzed the behavior of fixed-bed catalytic reactor (FBCR) which synthesizing maleic anhydride(MA) from the selective oxidation of n-butane. The behavior of FBCR describing convection-diffusion-reaction mechanism is examined by using two-dimensional pseudohomogeneous plug-flow transient model, with the kinetics of Langmuir-Hinshelwood type. Prediction model is composed by optimum parameter estimation from temperature profile, yield and conversion of single FBCR on operating condition variations of Sharma's pilot-plant experiment. A double FBCR with same yield and conversion for single FBCR generated a $8.96^{\circ}C$ lower hot spot temperature than a single FBCR. We could predict parametric sensitivity according to the variation of possible operating condition (temperature, concentration, volumetric flow of feed reactant and coolant flow rate) of single and double FBCR. Double FBCR showed the behavior of more operating range than single FBCR. Double FBCR with nonuniform activities could assure safety operation condition for the possible variation of operating condition. Also, double FBCR had slightly higher than the single FBCR in conversion and yield.

• Bulletin of the Korean Chemical Society
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• v.26 no.1
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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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• v.18 no.5
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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.

• Journal of the Korean Chemical Society
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• v.32 no.4
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• pp.390-405
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• 1988

The chlorination of $C_7H_16,\;C_8H_18,\;C_10H_22,\;and\;(Me_2CH)_2$ with N-Chlorosuccinimide, tert-BuOCl, $CCl_3SO_2Cl,\;CCl_4,\;CCl_3SCl,\; PCl_5,\;and\;Cl_2\;in\;C_6H_6\;or\;CS_2$ which both form loose complexes with $Cl_2$ atoms yielded mixtures of isomeric monochloroalkanes which were analyzed quantitatively. An isomer ratio differing from that known for the substitution of paraffinic hydrocarbons was observed. The isomer distribution observed is the result of the combined effects of the differing C-H dissociation energies of the different types of H atoms of the alkane and of the free energy of the attacking radical with polar effects of the attacking radical as well as of the hydrocarbon.