• Elastomers and Composites
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• 제39권4호
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• pp.318-323
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• 2004

Poly(ethylene-co-13.8 mol% octene) ($PEO_{13.8}$), Poly(ethylene-co-15.3 mol% octene) ($PEO_{15.3}$)과 분자크기와 분자구조가 각각 다른 탄화수소의 2성분계 혼합물에 대한 cloud-point, bubble-point 압력을 $150^{\circ}C$, 450 bar까지 측정하였다. (PEO+n-프로판), (PEO+n-부탄) 2성분계 혼합물에서 cloud-point 곡선이 측정되었고, (PEO+n-펜탄) 혼합물에서는 cloud-point와 bubble-point 곡선이 모두 측정되었다. (PEO+시클로펜탄), (PEO+시클로헥산), (PEO+시클로 헵탄), (PEO+시클로옥탄) 2성분계 혼합물에서는 bubble-point 곡선이 측정되었다. (PEO+탄화수소) 2성분계의 압력-조성 등온곡선과 온도-조성 등압곡선은 PEO의 농도가 약 5 wt%일 때 각각 최고점과 최저점을 가졌다. (PEO+탄화수소) 2성분계는 PEO 농도가 5 wt%에서 임계조성을 가진다. PEO는 n-알칸과 시클로알칸 용매에서 LCST 유형의 상거동을 보여주며, 탄화수소의 분자크기가 증가할수록 PEO의 녹는 압력은 감소하였고 용해도는 증가하였다.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2007년도 추계학술대회 논문집
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• pp.585-589
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• 2007

Gas hydrate is a special kind of inclusion compound that can be formed by capturing gas molecules to water lattice in high pressure and low temperature conditions. When referred to standard conditions, $1m^3$ solid hydrates contain up to $172Nm^3$ of methane gas, depending on the pressure and temperature of production, Such large volumes make natural gas hydrates can be used to store and transport natural gas. In this study, three-phase equilibrium conditions for forming methane hydrate were theoretically obtained in aqueous single electrolyte solution containing 3wt% Nacl. The results show that Nacl acts as a inhibitor, but help gases such as ethan, propane, i-butane, and n-butane reduce the hydrate formation pressure at the same temperature.

• 한국가스학회지
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• 제4권1호
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• pp.69-76
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• 2000

BLEVE로 인한 위험을 평가하기 위한 프로그램, BLEVE ESTIMATOR를 이용하여 온도에 따른 폭발량과 Flashing mass를 계산하였고, 부천 가스충전소의 사고를 모델로 피해를 예측하였으며, 상용프로그램인 Dupont의 SAFER 프로그램과 비교하였다. 폭발량과 Flashing mass는 폭발온도의 증가에 따라 지수함수로 증가하였으며, Propane이 n-Butane보다 상대적으로 높게 나타났다. 용기의 온도, 압력, 충전비가 높을수록 Overpressure가 높게 나타났다.

• 한국연소학회:학술대회논문집
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• 한국연소학회 2015년도 제51회 KOSCO SYMPOSIUM 초록집
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• pp.291-293
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• 2015

The experimental study on flow characteristic in various laminar coflow diffusion flame has been conducted with a particular focus on the buoyancy force exerted from gaseous hydrocarbon fuels. Methane ($CH_4$), Ethylene ($C_2H_4$) and n-Butane ($C_4H_{10}$) were used as fuels. Coflow burner and Schlieren technique were used to observe the fuel flow field near nozzle exit and flow characteristics in flames. The result showed that the vortices in n-Butane with density heavier than air were appeared near the nozzle exit with the strong negative buoyancy on the fuel stream. As Reynolds number increases by the control of velocity, the vortices were greater and the vortices tips were moved up from the nozzle exit. In addition, it can be found that the heated nozzle can affect to the flow fields of fuel stream near the nozzle exit.

• Korean Chemical Engineering Research
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• 제56권6호
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• pp.909-913
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• 2018

A hydrocarbon trap (HT) plays an important role of controlling vehicle emissions in the so-called cold emission period by holding hydrocarbons until three way catalysts (TWCs) are thermally activated. In this study, we have investigated the adsorption characteristics of cation (H, La, K, and Ag)-exchanged ZSM-5 zeolites for hydrocarbons (propylene, n-butane, and toluene) by DFT (density functional theory)-based computational chemistry. Cation exchange is to improve the hydrothermal stability of zeolites and their adsorption capacity, thereby rendering cation-exchanged zeolites promising materials for HT. The idea of cluster approximation makes the calculation of adsorption energies superbly efficient in computation. The results showed that Ag-exchanged ZSM-5 would be the best for the adsorption of all three adsorbates, without often encountered Ag oxidation in experiments. Besides, the hydrothermal stability of La-exchanged ZSM-5 was confirmed from the change of geometrical parameters by cation exchange, and it showed good adsorption capacity for propylene and toluene. Hydrogen-exchanged ZSM-5 was also good for hydrogen adsorption, but had poor hydrothermal stability.

• Journal of Korean Society for Atmospheric Environment
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• 제17권E3호
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• pp.101-107
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• 2001

Source profiles were developed for a total of 45 volatile organic compounds (VOC) that can be emitted from gasoline evaporation. The gasoline samples of five major brands (for each season) were blended on the basis of the market share in Seoul area and analyzed by a GC-MS/FID system. In addition, we calculated gasoline evaporative compositions using the Raoult's law from the liquid gasoline compositions. The measured and estimated gasoline vapor compositions agree well each other. As a group, alkanes are the most abundant in the gasoline vapors profiles (77.4% on average), followed by alkenes (19.1%), and aromatics (1.7%). As a specie in gasoline vapor, i-pentane is the most abundant, followed by n-butane, n-pentane, i-butane, trans-and cis-2-butenes, 2-methyl-2-butene, and trans-and cis-2-pentenes . It was also seen that aromatic content was much lower in the vapor phase compositions. From the comparison between experimental and calculated compositions, we identified the fact that once the gasoline vapor composition is reliably constructed entirely from the measured gasoline composition and the Raoult's law calculations, the need for doing separate chemical analyses of the gasoline vapor can be reduced.

• 약학회지
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• 제32권3호
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• pp.164-169
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• 1988

$^{13}C$ NMR chemical shifts for 18 ${\alpha}-susbstituted$ toluenes at high dilution in $CCl_4$ solution have been determined. Substituents are as follows: H, Me, Et, n-Pr, iso-Pr, Ph, F, Cl, Br, $NH_2$, NHMe, $NMe_2$, OH, OMe, OCOMe, $CO_2Me$, $CO_2Et$, CN. Those chemical shifts of the methylene carbon of the toluene and the ${\alpha}-carbon$ of the n-butane systems are correlated well. (r=.975, slope=.962)

• 대한화학회지
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• 제49권5호
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• pp.441-448
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• 2005

• 대한화학회지
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• 제26권4호
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• pp.195-204
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• 1982

n-부탄, n-부틸 라디칼, 그리고 테트라메틸렌 디라디칼(3중항)의 여러 기하학적 구조에 관하여 STO-3G 방법으로 얻은 고유값 및 고유함수 성질들을 반경험적인 MO계산으로 얻은 결과와 비교하여 보기 위하여 EHT, CNDO/2, MINDO/3, 그리고 MNDO계산을 수행하였다. 그 결과 n-부탄의 여러 형태에 대한 안정성 순서는 모든 방법에서 같았으며 일전자에너지항에 의존하였고 ${\pi}$-오비탈에너지 변화는 반경험적 계산에서 훨씬 중요함을 알았다. $(n-{\sigma}^{\ast})_{trans}$에서 $(n-{\sigma}{\ast})_{cis}$로 구조가 바뀔때 수반되는 hyperconjugation 에너지 변화는 EHT, CNDO/2, MINDO/3 계산에서 작게 계산된 반면에 MNDO 계산에서는 크게 계산되었다. 주로 $(n-{\sigma}{\ast})_{trans}$의 구조에 수반되는 매우 큰 핵간 반발에너지 때문에 $(n-{\sigma}{\ast})_{trans}$는 알짜 불안정화 효과를 나타내었다. Through-space 상호작용으로 디라디칼의 $n_1$ 및 $n_2$ 오비탈간의 에너지 차이 ${\Delta}E-{sp}$ 및 ${\Delta}{\varepsilon}={\varepsilon}_0$-${\varepsilon}_{av}$를 작게함을 알았다 : through-space 상호작용은 through-bond 상호작용과 반대의 효과를 나타내었다. 비교적 심하지 않은 NDO 근사를 사용한 MNDO법에서는 이러한 에너지 차이가 작아지는 효과가 확대되어 나타났다. 특히 ${\sigma}-{\sigma}{\ast}$ 및 $n-{\sigma}{\ast}$ 상호작용이 수반되는 경우에서는 일반적으로 반경험적 방법으로 계산한 오비탈 성질들은 STO-3G 방법으로 계산한 결과와 만족스럽게 일치 하였으나 고유값에 관여된 성질들은 만족스럽지 못함을 알았다.

• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3793-3796
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• 2012

A novel 3D compound $\{[Cu(L)(H_2O)_4][Cu_2(SIP)_2(L)_2]\}{\cdot}2H_2O$ (1) (L = N,N-bis(4-pyridinecarboxamide)-1,4-butane, SIP = 5-sulfoisophthalate) is hydrothermally synthesized. X-ray diffraction analysis reveals that compound 1 is composed of 2D anionic $[Cu_2(SIP)_2(L)_2]_n{^{2n-}}$ double-layers and discrete 1D cationic $[CuL(H_2O)_4]_n{^{2n+}}$ polymeric chains, which represents a rare 3D polypseudo-rotaxane MOF from intercalation of 1D and 2D framework. In addition, the luminescent property and electrochemical behavior of compound 1 have been investigated.