• Environmental Engineering Research
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• 제9권2호
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• pp.88-95
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• 2004

• Advances in environmental research
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• 제7권2호
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• pp.139-159
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• 2018

Green Leaf Volatiles (GLVs) is a class of biogenically emitted oxygenated hydrocarbons that have been identified as a potential source of Secondary Organic Aerosols (SOA) via aqueous oxidation. The physico-chemical properties of GLVs are vital to understanding their fate and transport in the atmosphere via fog processing, but few experimental data are available. We studied the aqueous solubility, 1-octanol/water partition coefficient, and Henry's law constant ($K_H$) of five GLVs at $25^{\circ}C$: methyl jasmonate, methyl salicylate, 2-methyl-3-buten-2-ol, cis-3-hexen-1-ol, and cis-3-hexenyl acetate. Henry's law constant was also measured at temperatures and ionic strengths typical of fog. Experimental values are compared to scarcely-available literature values, as well as estimations using group and bond contribution methods, property-specific correlations and molecular dynamics simulations. From these values, the partition coefficients to the air-water interface were also calculated. The large Henry's law constant of methyl jasmonate ($8091{\pm}1121M{\cdot}atm^{-1}$) made it the most significant GLV for aqueous phase photochemistry. The HENRYWIN program's bond contribution method from the Estimation Programs Interface Suite (EPI Suite) produced the best estimate of the Henry's constant for GLVs. Estimations of 1-octanol/water partition coefficient and solubility are best when correlating an experimental value of one to find the other. Finally, the scavenging efficiency was calculated for each GLV indicating aqueous phase processing will be most important for methyl jasmonate.

• 한국식품과학회지
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• 제35권4호
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• pp.738-742
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• 2003

로즈마리의 주요 항기 성분인 pinene, myrcene, cineol이 에탄올 용액에 흡수되는 물질전달 현상을 이해하기 위해 에탄올 농도에 따른 가스상 향기성분의 농도와 70% 에탄올 농도에서의 무차원 헨리상수를 구하였다. 에탄올 농도에 따른 가스상의 농도를 측정한 결과 3가지 화합물 모두 에탄올 농도가 증가함에 따라 headspace 농도가 감소하는 경향을 나타내었으나 화합물의 종류에 따라 다른 유형을 나타내었다. Cineol의 에탄올 농도(x)에 따른 무차원 헨리상수식은 $Hi=(-5.75+x)/(-7017.6+257.3{\times}x)$이며 1 atm, $25^{\circ}C$, 70% 에탄올 용액에서 무차원 헨리상수는 cineol은 0.0058, myrcene은 0.0182, pinene은 0.0365 이었다.

• 산업기술연구
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• 제39권1호
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• pp.41-45
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• 2019

Hydrogen sulfide ($H_2S$) is mainly produced along with methane and hydrocarbons in many gas fields as well as hydrodesulfurization processes of crude oils containing sulfur compounds and the emission of $H_2S$ has a considerable effect on both environmental problem and human health aspects due to formation of, e.g. acid rain and smog. In recent years, ionic liquids (ILs) have been proposed as the most promising solvents for $CO_2$ and hazardous pollutants capture, such as $H_2S$ and sulfur dioxide ($SO_2$). In this work, we demonstrate the use of the predictive COSMO-SAC model for the prediction of Henry's law constant of $H_2S$ in ILs. Furthermore, the method is used to screen for potential IL candidates for $H_2S$ capture from a set of 2,624 ILs formed from 82 cations and 32 anions. The effects of cation on the Henry's law constant of $H_2S$ such as (i) the variation of the alkyl chain length on cation, (ii) the substituent of methyl group ($-CH_3$) for H in C(2) position and (iii) the change of ring structure for cation family are clearly predicted by COSMO-SAC model.

• 한국방사성폐기물학회:학술대회논문집
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• 한국방사성폐기물학회 2005년도 Proceedings of The 6th korea-china joint workshop on nuclear waste management
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• pp.107-116
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• 2005

Precipitated silicas modified by aluminium were characterised using inverse liquid chromatography in anhydrous heptane with squalene as probes. Their monolayer capacities of adsorption, Langmuir's and Henry's constants were determined from the desorption isotherms according to frontal analysis. A narrow band consisting of isotherms was observed. The introduction of aluminium has little influence on the monolayer capacity, Langmuir's constants and the Henry constant. Experimental data show that neither the amounts of aluminium on the silica nor the methods of the introduction of aluminium into the silica influence the interactions between the squalene and the silicas.

• KIEE International Transactions on Electrophysics and Applications
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• 제2C권6호
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• pp.281-286
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• 2002

The temperature accelerated dielectric breakdown strength of on-wafer low-k dielectric polymer films with thicknesses ranging from 94 nm to 1141 nm is investigated by using the current-voltage characteristic measurements with MIS structures. The temperature dependence of dielectric strength is demonstrated to be Arrhenious for all thicknesses. However, the activation energy is found to be strongly thickness dependent. It follows an exponential relationship rather than being a single value, i.e., the activation energy increase significantly as film thickness increases for the thickness below 500 nm, but it is almost constant for the thickness above 500 nm. This relationship suggests that the change of the activation energy corresponding to different film thickness is closely related to the temperature dependence of the electron trapping/detrapping process in polymer thin films, and is determined by both the trapping rate and the detrapping rate. Thinner films need less energy to form a conduction path compared to thicker films. Hence, it leads to smaller activation energy in thinner films, and the activation energy increases with the increase in film thickness. However, a nearly constant value of the activation energy is achieved above a certain range of film thickness, indicating that the trapping rate and detrapping rate is almost equal and eventually the activation energy approaches the value of bulk material.

• 한국자동차공학회논문집
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• 제7권9호
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• pp.165-171
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• 1999

An oil layer fuel absorption /desorption modeling was developed. Multi-component fuel model has showed more reasonable condition than single component model. Henry's constant which is related to solubility is the most important variable in the oil layer absorption/desorption mechanism. The oil segments close to the top of the cylinder liner have more significant contribution to the fuel absorption and desorption process than other oil segments. At the warmed-up condition, the effect of the engine speed on the precent fuel absorbed/desorbed is minimal. But at low il film temperature, percent of fuel abosrbed/desorbed is decreased with increasing the engine speed because of low value of molecular diffusion coefficient of fuel. The amount of fuel trapped in the piston crevice is from 2 to 2.3 times larger than that of fuel in the oil fim. However, fuel form oil film slowly desorbs into the combustion chamber compared with fuel from the piston crevices when the engines is cold.

• Korean Chemical Engineering Research
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• 제51권2호
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• pp.233-239
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• 2013

Poly(isobutylene), polystyrene 및 poly(methyl methacrylate)로 코팅된 quartz crystal microbalance(QCM) 시스템을 구성하여, 매우 낮은 압력에서 benzene, toluene, p-xylene의 흡착량을 측정하였다. 모든 흡착실험에서 QCM 시스템의 공진 주파수 변화는 압력의 증가에 비례하였다. 실험결과로부터 각각의 고분자 필름에 대한 흡착물질의 Henry 상수를 구하였으며 고분자 필름과 흡착물질 사이의 최소 흡착 포텐셜 에너지와 비교하였다. 전체적으로 흡착량과 최소 흡착 포텐셜 에너지는 명백한 상관관계가 있었다.

• 한국산학기술학회논문지
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• 제18권10호
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• pp.136-152
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• 2017

본 연구에서는 $CO_2$ 제거 용매로써 메탄올 수용액을 사용하는 $Rectisol^{(R)}$공정을 모델링하기 위한 열역학 모델식으로는 PC-SAFT(Perturebed-Chain Statistical Associating Fluid Theory) 상태방정식과 액체활동도계수 모델식을 기본으로 조합된 Two-model approach식{NRTL(Non Random Two Liquid) + Henry + Peng-Robinson}을 비교하였다. 또한 PC-SAFT 상태방정식의 이성분계 상호작용 매개변수와 Two-model approach식의 Henry 상수를 새롭게 결정하기 위해서 273.25K과 262.35K에서 $CO_2$와 메탄올 간의 흡수평형실험을 수행하고 회귀분석을 하였다. 그리고 새롭게 결정한 매개변수의 정확성은 실험 데이터의 추산결과를 통해 검증하였다. 이러한 모델식과 검증한 매개변수를 사용하여 $CO_2$ 제거공정을 모델링 하였다. 그 결과 Two-model approach식을 사용한 경우가 PC-SAFT EOS을 사용한 경우에 비해 $CO_2$ 99.00% 제거하기 위해 요구되는 메탄올 용매 유량이 약 43.72% 더 높게 추산되었으며, 증류탑에서의 냉각수 소모량은 39.22%정도, 스팀소모량은 43.09%정도 더 소요됨을 알 수 있었다. 결론적으로 고압에서 운전되는 $Rectisol^{(R)}$ 공정을 Henry관계식의 도움을 받는 액체활동도계수 모델식을 사용하여 모델링을 하는 경우 PC-SAFT 상태방정식을 사용한 경우에 비해서 크게 설계된 다는 것을 알 수 있었다. 이러한 이유는 액상에 대한 용해도가 낮은 가스성분이 일정한 온도에서 액상에 녹아드는 양은 기상의 분압에 비례하여 증가하는 것으로 계산되는 Henry 관계식의 특성 때문에 메탄올에 대해 용해도가 큰 $CO_2$의 경우 메탄올과 $CO_2$간의 흡수특성을 잘 예측하지 못하는 것을 알 수 있었다.

• 한국환경독성학회:학술대회논문집
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• 한국환경독성학회 2002년도 추계국제학술대회
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• pp.154-154
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• 2002

Benzoyl peroxide is a High Production Volume Chemical, which is produced about 1,375 tons/year in Korea as of 2001 survey. The substance is mainly used as initiators in polymerization, catalysts in the plastics industry, bleaching agents for flour and medication for acne vulgaris. The substance is one of seven chemicals of which human health and environmental risks are being assessed by National Institute of Environmental Research (NIER) under the frame of OECD SIDS Program. In this study, Quantitative Structure-Activity Relationships (QSAR) is used for getting adequate information on the physical-chemical property and the environmental fate of this chemical. For the assessment of benzoyl peroxide, models such as MPBPWIN for vapor pressure, KOWWIN for octanol/water partition coefficient, HENRYWIN for Henry's Law constant, AOPWIN for photolysis and BCFWN for bioconcentration factor (BCF) were used. These (Q)SAR model programmes were worked by using the SHILES (Simplified Molecular Input Line Entry System) notations. The physical-chemical properties and the environmental fate of benzoyl peroxide were estimated as followed : vapor pressure =0.00929 Pa, Log Kow = 3.43, Henry's Law constant = 0.00000354 atm-㎥/mole at 25 $^{\circ}C$, the half-life of photodegradation = 3 days, bioconcentration factor (BCF) = 92