• Title/Summary/Keyword: Toluene oxidation

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Development of Reduced Normal Dodecane Chemical Kinetics (축소 노멀 도데케인 화학반응 메커니즘 개발)

  • Lee, Sangyul;Kim, Gyujin;Min, Kyoungdoug
    • Transactions of the Korean Society of Automotive Engineers
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    • v.21 no.2
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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.

Observation of Secondary Organic Aerosol and New Particle Formation at a Remote Site in Baengnyeong Island, Korea

  • Choi, Jinsoo;Choi, Yongjoo;Ahn, Junyoung;Park, Jinsoo;Oh, Jun;Lee, Gangwoong;Park, Taehyun;Park, Gyutae;Owen, Jeffrey S.;Lee, Taehyoung
    • Asian Journal of Atmospheric Environment
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    • v.11 no.4
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    • pp.300-312
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    • 2017
  • To improve the understanding of secondary organic aerosol (SOA) formation from the photo-oxidation of anthropogenic and biogenic precursors at the regional background station on Baengnyeong Island, Korea, gas phase and aerosol chemistries were investigated using the Proton Transfer Reaction Time of Flight Mass Spectrometer (PTR-ToF-MS) and the Aerodyne High Resolution Time of Flight Aerosol Mass Spectrometer (HR-ToF-AMS), respectively. HR-ToF-AMS measured fine particles ($PM_1$; diameter of particle matter less than $1{\mu}m$) at a 6-minute time resolution from February to November 2012, while PTR-ToF-MS was deployed during an intensive period from September 21 to 29, 2012. The one-minute time-resolution and high mass resolution (up to $4000m{\Delta}m^{-1}$) data from the PTR-ToF-MS provided the basis for calculations of the concentrations of anthropogenic and biogenic volatile organic compounds (BVOCs) including oxygenated VOCs (OVOCs). The dominant BVOCs from the site are isoprene (0.23 ppb), dimethyl sulphide (DMS, 0.20 ppb), and monoterpenes (0.38 ppb). Toluene (0.45 ppb) and benzene (0.32 ppb) accounted for the majority of anthropogenic VOCs (AVOCs). OVOCs including acetone (3.98 ppb), acetaldehyde (2.67 ppb), acetic acid (1.68 ppb), and formic acid (2.24 ppb) were measured. The OVOCs comprise approximately 75% of total measured VOCs, suggesting the occurrence of strong oxidation processes and/or long-range transported at the site. A strong photochemical aging and oxidation of the atmospheric pollutants were also observed in aerosol measured by HR-ToF-AMS, whereby a high $f_{44}:f_{43}$ value is shown for organic aerosols (OAs); however, relatively low $f_{44}:f_{43}$ values were observed when high concentrations of BVOCs and AVOCs were available, providing evidence of the formation of SOA from VOC precursors at the site. Overall, the results of this study revealed several different SOA formation mechanisms, and new particle formation and particle growth events were identified using the powerful tools scanning mobility particle sizer (SMPS), PTR-ToF-MS, and HR-ToF-AMS.

The Oxidative Stability of Solvent Extracts of Sea Tangle Powder(STP)and Maejakgwa Made with STP (다시마 용매추출물과 다시마 분말 첨가에 의한 매작과의 산화안정성)

  • Park, Bock-Hee;Cho, Hee-Sook;Kim, Kyung-Hee;Kim, Sun-Sook;Kim, Hyun-A
    • Korean journal of food and cookery science
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    • v.24 no.4
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    • pp.452-459
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    • 2008
  • The purpose of this study was to investigate the antioxidative effects of Sea tangle powder(STP) solvent extracts as well as Maejakgwa made with STP. The STP solvent extracts were added to soybean oil at a quantity of 0.05%. The solvents used for extraction were methanol, ethanol, ethyl acetate, and petroleum ether. Soybean oil without added STP was used as a negative control, and soybean oil samples containing 0.02% butylated hydroxy toluene(BHT) and $\alpha$-tocopherol were used as positive control, respectively. Each sample was stored at $50^{\circ}C$ for 30 days. The oxidation levels of these samples were determined by measuring their acid values, peroxide values, and thiobarbituric acid(TBA) values. The soybean oil samples containing the STP extracts had lower oxidation levels than both the negative control and $\alpha$-tocopherol positive control, and the sample containing the 0.05% methanol extracts had the lowest oxidation. According to the Rancimat method, the methanol extract(320 min) and ethanol extract(316 min) demonstrated longer induction periods as, compared to the control(253 min), $\alpha$-tocopherol(255 min), and BHT(309 min) samples. For the Maejakgwa, acid values increased over the storage period, however, the samples made with STP had lower values than the control group. Peroxide values increased rapidly for 30 days and then decreased. The TBA values of the Maejakgwa samples made with 3% and 9% STP were lower than those of the 15% STP sample and the control. In conclusion, the oxidative stability of soybean oil containing solvent extracts of STP and Maejakgwa made with STP were increased.

Human Health Risk, Environmental and Economic Assessment Based on Multimedia Fugacity Model for Determination of Best Available Technology (BAT) for VOC Reduction in Industrial Complex (산업단지 VOC 저감 최적가용기법(BAT) 선정을 위한 다매체 거동모델 기반 인체위해성·환경성·경제성 평가)

  • Kim, Yelin;Rhee, Gahee;Heo, Sungku;Nam, Kijeon;Li, Qian;Yoo, ChangKyoo
    • Korean Chemical Engineering Research
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    • v.58 no.3
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    • pp.325-345
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    • 2020
  • Determination of Best available technology (BAT) was suggested to reduce volatile organic compounds (VOCs) in a petrochemical industrial complex, by conducting human health risk, environmental, and economic assessment based on multimedia fugacity model. Fate and distribution of benzene, toluene, ethylbenzene, and xylene (BTEX) was predicted by the multimedia fugacity model, which represent VOCs emitted from the industrial complex in U-city. Media-integrated human health risk assessment and sensitivity analysis were conducted to predict the human health risk of BTEX and identify the critical variable which has adverse effects on human health. Besides, the environmental and economic assessment was conducted to determine the BAT for VOCs reduction. It is concluded that BTEX highly remained in soil media (60%, 61%, 64% and 63%), and xylene has remained as the highest proportion of BTEX in each environment media. From the candidates of BAT, the absorption was excluded due to its high human health risk. Moreover, it is identified that the half-life and exposure coefficient of each exposure route are highly correlated with human health risk by sensitivity analysis. In last, considering environmental and economic assessment, the regenerative thermal oxidation, the regenerative catalytic oxidation, the bio-filtration, the UV oxidation, and the activated carbon adsorption were determined as BAT for reducing VOCs in the petrochemical industrial complex. The suggested BAT determination methodology based on the media-integrated approach can contribute to the application of BAT into the workplace to efficiently manage the discharge facilities and operate an integrated environmental management system.

A Study on Contact Dermatitis-Causing Substances Concentration in Commercial Oxidative Hair-Coloring Products (유통 산화형 염모제의 접촉성피부염 유발물질 함량 연구)

  • Na, Young Ran;Koo, Hee Soo;Lee, Seung Ju;Kang, Jung Mi;Jin, Seong Hyeon
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.40 no.2
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    • pp.203-214
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    • 2014
  • We measured the contact dermatitis-causing substances concentrations in 28 commercial oxidative hair-coloring products. This study was aimed to provide the fundamental data about oxidative hair-coloring products. We selected 10 oxidation dyes (p-phenylenediamine, toluene-2,5-diamine, m-phenylenediamine, nitro-p-phenylenediamine, p-aminophenol, m-aminophenol, o-aminophenol, p-methylaminophenol, N,N'-bis(2-hydroxyethyl)-p-phenylenediamine sulfate, 2-methyl-5-hydroxyethylaminophenol) and 4 heavy metal (nikel; Ni, chromium; Cr, cobalt; Co, copper; Cu) as contact dermatitis-causing substances. To identify 10 oxidation dyes, hexane-2% sodium sulfite was used for the rapid and simple extraction and ultra performance liquid chromatography (UPLC) analysis was used for simultaneous analysis in 12 minutes. 10 oxidative dyes were detected as indicated on the product packaging and each concentration was lower than prescribed upper concentration limit by pharmaceutical manufacturing standards. And we analysed inductively coupled plasma-optical emission spectrophotometer (ICP-OES) for content search of heavy metal after microwave digestion. The heavy metal average concentration in oxidative hair-coloring products was 0.572 ${\mu}g/g$ for Ni, 3.161 ${\mu}g/g$ for Cr, 2.029 ${\mu}g/g$ for Co, 0.420 ${\mu}g/g$ for Cu, respectively. The average of concentration in powder type (henna) was higher than those of other foam and cream type oxidative hair-coloring products as follows; 1.800 ${\mu}g/g$ for Ni, 10.127 ${\mu}g/g$ for Cr, 7.082 ${\mu}g/g$ for Co, 1.451 ${\mu}g/g$ for Cu. Hair coloring products were classified into the six colors - black, dark brown, brown, dark brown, light brown, red brown and analyzed. Brown color had the highest average concentration of Co and the others had the highest average concentration of Cr.

Enhanced Bioslurping System for Remediation of Petroleum Contaminated Soils (Enhanced Bioslurping system을 이용한 유류오염 토양의 복원)

  • Kim Dae-Eun;Seo Seung-Won;Kim Min-Kyoung;Kong Sung-Ho
    • Journal of Soil and Groundwater Environment
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    • v.10 no.2
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    • pp.35-43
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    • 2005
  • Bioslurping combines the three remedial approaches of bioventing, vacuum-enhanced free-product recovery, and soil vapor extraction. Bioslurping is less effective in tight (low-permeability) soils. The greatest limitation to air permeability is excessive soil moisture. Optimum soil moisture is very soil-specific. Too much moisture can reduce air permeability of the soil and decrease its oxygen transfer capability. Too little moisture will inhibit microbial activity. So Modified Fenton reaction as chemical treatment which can overcome the weakness of Bioslurping was experimented for simultaneous treatment. Although the diesel removal efficiency of SVE process increased in proportion to applied vacuum pressure, SVE process was difficulty to remediation quickly semi- or non-volatile compounds absorbed soil strongly. And SVE process had variation of efficiency with distance from the extraction well and depth a air flow form of hemisphere centering around the well. Below 0.1 % hydrogen peroxide shows the potential of using hydrogen peroxide as oxygen source but the co-oxidation of chemical and biological treatment was impossible because of the low efficiency of Modified Fenton reaction at 0.1 % (wt) hydrogen peroxide. NTA was more efficiency than EDTA as chelating agent and diesel removal efficiency of Modified Fenton reaction increased in proportion to hydrogen peroxide concentration. Hexadecane as typical aliphatic compound was removed less than Toluene as aromatic compound because of its structural stability in Modified Fenton reaction. What minimum 10% hydrogen peroxide concentration has good remediation efficiency of diesel contaminated groundwater may show the potential use of Modified Fenton reaction after bioslurping treatment.

Synthesis of Cobalt(II), Nickel(II) and Copper(II) Complexes with Tetradentate Schiff Base Ligand of o-BSDT $H_2$ and Electrochemical properties in DMSO (네자리 Schiff Base 리간드의 Cobalt(II), Nickel(II) 및 Copper(II) 착물의 합성과 DMSO용액에서 전기화학적 성질)

  • Ki-Hyung Chjo;Jong-Soon Kim
    • Journal of the Korean Chemical Society
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    • v.31 no.6
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    • pp.509-519
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    • 1987
  • The tetradentate Schiff base ligand, 3,4-bis(salicylidene diimine) toluene, have been prepared by the reaction of salicylaldehyde with 3,4-diaminotoluene by Duff method. The Schiff base ligand reacts with Ni(II), Co(II), and Cu(II) ions to form new complexes, [Ni(o-BSDT)${\cdot}(H_2O)_2$], [Co(o-BSDT)${\cdot}(H_2O)$], and [Cu(o-BSDT)]. It seems that Ni(II) and Ni(II) complexes are hexacoordinated with the Schiff base ligand and two molecules of water, while the Cu(II) complexes are tetracoordinated with the Schiff base. The mole ratio of tetradentate Schiff base ligand to metals was found to be 1 : 1. The redox chemistry of these complexes was investigated by polarography and cyclic voltammetry with glassy carbon electrode in DMSO with 0.1M TEAP${\cdot}$[Ni(o-BSDT)${\cdot}(H_2O)_2$] hav EC reaction mechanisms which undergo a irreversible electron transfer followed by a fast chemical reaction. [Co(o-BSDT)${\cdot}(H_2O)_2$] undergoes a reduction of Co(II) to Co(I) and a oxidation of Co(II) to Co(III), and [Cu(o-BSDT)] undergoes a reduction of Cu(II) to Cu(I).

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Degradation and Metabolism of Phorate in Soil (토양중(토양중) Phorate의 분해(분해)와 대사(대사))

  • Lee, Hae-Keun;Hong, Jong-Uck
    • Applied Biological Chemistry
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    • v.26 no.2
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    • pp.97-103
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    • 1983
  • To get further information on the behavior of phorate(0,0-diethyl S-ethylthiomethyl phosphorodithioate) in soil under the subtropical conditions, a field experiment has been conducted. Phorate granule (10%) was applied to silt loam soil at the rate of 40kg a.i./ha and incorporated to 10cm soil depth. Residues of phorate and its metabolites in soil were determined with GLC and confirmed qualitatively with TLC. Phorate was rapidly oxidized to its sulfoxide and sulfone. Therefore, main metabolic pathway of phorate in soil was the oxidation of phorate to phorate sulfoxide and sulfone. Phorate sulfoxide and sulfone were relatively more persistent than phorate itself. Phoratoxon was detected at low level only up to 30 days after treatment and its sulfoxide and sulfone were not detected during the whole experimental period. Toluene-acetonitrile-nitromethane(40 : 30 : 30, v/v/v) solvent system separated satisfactorily phorate and its five metabolites. Most of the residues was found in the initial incorporation depth $(0{\sim}10cm)$. Consequently, insecticides showed a little downward movement.

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A Study on Dissolve and Remove Analysis of Organic Chemicals Using a Mixed Method of Advanced Oxidation and Micro Filtering - Water Drinking Point - (고도산화와 정밀여과의 혼성공법을 이용한 유기화학물질의 분해 및 제거분석에 관한 연구 - 먹는 물을 중심으로 -)

  • An, Tai-Young;Jun, Sang-Ho;Ahn, Tae-Seok;Han, Mi-Ae;Hur, Jang-Hyun;Pak, Mi-Young
    • Membrane Journal
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    • v.17 no.2
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    • pp.99-111
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    • 2007
  • It is impossible to remove toxic organic substances that are recognized as a cancer caused suspicious element in drinking water using the conventional water purification method. This study introduces groundwater into a reaction chamber as an effective amount of water to process this water using a mixed method of AOP oxidation and M/F membrane and purifies it as a desirable level by artificially mixing such toxic substances in order to effectively process the water. Based on this fact, this study configures an optimal operation condition. The VOCs existed in toxic substances was investigated as a term of phenol and toluene, and agricultural chemicals were also investigated as a term of parathion, diazinon and carbaryl. The experiment applied in this study was performed using a single and composite soolution. In the operation condition applied to fully dissolve and remove such substances, the amount of $H_2O_2$ injected in the process was 150 mL of a fixed quantity, the value of pH was configured as $5.5{\sim}6.0$, the temperature was controlled as a range of $12{\sim}16^{\circ}C$, the dissolved amount of ozone was applied more than 5.0 mg/L, the reaction time was determined as an optimal condition, such as $30{\sim}40$ minutes, and the segregation membrane in the same reactor was determined for acquire water drinking of large quantity using a pore size of $0.45{\mu}m$ M/F membrane.

Dual Photonic Transduction of Porous Silicon for Sensing Gases (이중의 광학적 변화를 이용한 다공성 실리콘 가스센서 제작)

  • Koh, Young-Dae;Kim, Sung-Jin;Jang, Seung-Hyun;Park, Cheol-Young;Sohn, Hong-Lae
    • Journal of the Korean Vacuum Society
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    • v.16 no.2
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    • pp.99-104
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    • 2007
  • Porous silicon exhibiting dual optical properties, both $Febry-P{\acute{e}}rot$ fringe (optical reflectivity) and photoluminescence had been developed and used as chemical sensors. Porous silicon samples were prepared by an electrochemical etch of p-type silicon wafer (boron-doped, <100> orientation, resistivity ; $1-10{\Omega}cm$). Two different types of porous silicon, fresh porous silicon (Si-H terminated) and oxidized porous silicon (Si-OH terminated)by the thermal oxidation, were prepared. Then the samples were exposed to the vapor of various organics, such as methanol, acetone, hexane, and toluene. Both reflectivity and photoluminescence were simultaneously measured under the exposure of organic vapors for sensing VOC's. These surface-modified samples showed unique respond in both reflectivity and photoluminescence with various organic vapors. While polar molecules exhibit greater quenching photoluminescence, molecules having higher vapor pressure show greater red shift for reflectivity.