• 제목/요약/키워드: n-butane

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Molecular Dynamics Simulation of Liquid Alkanes. Ⅱ. Dynamic Properties of Normal Alkanes : n- Butane to n- Heptadecane

  • 이송희;이홍;박형숙
    • Bulletin of the Korean Chemical Society
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    • 제18권5호
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    • pp.478-484
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    • 1997
  • In a recent paper[Bull. Kor. Chem. Soc. 17, 735 (1996)] we reported results of molecular dynamic (MD) simulations for the thermodynamic and structural properties of liquid n-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 dynamic properties of liquid n-alkanes using the same models. The agreement of two self-diffusion coefficients of liquid n-alkanes calculated from the mean square displacements (MSD) via the Einstein equation and the velocity auto-correlation (VAC) functions via the Green-Kubo relation is excellent. The viscosities of n-butane to n-nonane calculated from the stress auto-correlation (SAC) functions and the thermal conductivities of n-pentane to n-decane calculated from the heat-flux auto-correlation (HFAC) functions via the Green-Kubo relations are smaller than the experimental values by approximately a factor of 2 and 4, respectively.

LPG/DME 혼합연료를 사용하는 전기점화 기관에서 LPG 성분이 엔진 성능 및 배기특성에 미치는 영향 (The Effect of N-butane and Propane on Performance and Emissions of a SI Engine Operated with LPG/DME Blended Fuel)

  • 이석환;오승묵;최영;강건용;최원학;차경옥
    • 한국자동차공학회논문집
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    • 제17권1호
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    • pp.35-42
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    • 2009
  • In this study, a spark ignition engine operated with LPG and DME blended fuel was studied experimentally. The effect of n-butane and propane on performance and emissions of a SI engine fuelled by LPG/DME blended fuel were examined. Stable engine operation was achieved for a wide range of engine loads with propane containing LPG/DME blended fuel compare to butane containing LPG/DME blended fuel since octane number of propane was much higher than that of butane. Also, engine output operated with propane containing blended fuel was comparable to pure LPG fuel operation. Engine output power was decreased and break specific fuel consumption (BSFC) was increased with the blended fuel since the energy content of DME was much lower than that of LPG. Considering the results of engine output power, bsfc, and exhaust emissions, the propane containing LPG/DME blended fuel could be used as an alternative fuel for LPG.

프로판/부탄 혼합자연냉매의 평활관과 마이크로핀관 내의 응축성능평가 (Condensing Performance Evaluation in Smooth and Micro-Fin Tubes for Natural Mixture Refrigerant (Propane/Butane))

  • 이상무;이주동;박병덕
    • 설비공학논문집
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    • 제17권9호
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    • pp.816-823
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    • 2005
  • This paper deals with the heat exchange performance prediction of a counter flow type double-tube condenser for natural refrigerant mixtures composed of Propane/n-Butane or Propane/i-Butane in a smooth tube and a micro-fin tube. The local characteristics of heat transfer, mass transfer and pressure drop are calculated using a prediction method developed by the authors. The total pressure drop and the overall heat transfer coefficient are also evaluated on various heat exchange conditions. The calculated results of the natural refrigerant mixtures are compared with HCFC22. In conclusion, natural refrigerant mixtures composed of Propane/n-Butane or Propane/i-Butane are appropriate candidates for alternative refrigerant from the viewpoint of heat transfer characteristics.

휴대용 연료전지를 위한 부탄 자열개질에 관한 연구 (Study on n-Butane Autothermal Reforming for Portable Fuel Cell)

  • 배규종;강인용;임성광;배중면;김주용;이찬호
    • 대한기계학회논문집B
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    • 제30권11호
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    • pp.1123-1130
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    • 2006
  • This study discusses about research efforts of hydrogen generation from hydrocarbon(e.g., diesel, gasoline, natural gas, and LPG), especially, butane reforming by using Autothermal Reforming Reaction (ATR) technology. Several catalysts were selected for butane ATR. Thermodynamic reactor conditions (temperature, $O_2$/C, S/C) are varied and reforming characteristics of 2 catalysts (Pt and Rh on ceramic supports) and 1 commercial catalyst (FCR-HC35) have been examined. To understand reaction behaviors in an ATR reactor comprehensively, temperature profiles of reactor were observed. By mass transfer limitation, fuel conversion decreases when GHSV increases. Significant temperature variation along the reactor was observed and it was mainly due reaction kinetics difference between exothermic oxidation and endothermic reforming reaction.

n-Butane 내부개질시 Ni-YSZ와 Cu-Ceria-YSZ에 대한 탄소침적에 관한 연구 (Research of carbon formation on Ni-YSZ and Cu-Ceria-YSZ to internal reforming using n-Butane)

  • 배규종;배중면;박광진;김용민
    • 한국신재생에너지학회:학술대회논문집
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    • 한국신재생에너지학회 2008년도 춘계학술대회 논문집
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    • pp.9-12
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    • 2008
  • The internal reforming of n-Butane on Ni-YSZ and Cu-Ceria-YSZ was investigated with anode granule at steam to carbon ratio from 0 to 3 and at temperature of $750^{\circ}C$. Although hydrogen production was lager at Ni-YSZ, resistivity for carbon deposition was better at Cu-Ceria-YSZ. These phenomena occur because unwanted side reaction go on with reforming reaction for hydrogen production at Ni-YSZ.

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Cr이 담지 된 알루미나, SBA-15 촉매에서 n-부탄의 산화적 탈수소화 반응 (Oxidative Dehydrogenation of n-Butane over Cr Catalysts Supported on Alumina and SBA-15)

  • 신진현;신진호;조득희;고문규
    • Korean Chemical Engineering Research
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    • 제51권3호
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    • pp.364-369
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    • 2013
  • n-부탄의 산화적 탈수소화 반응을 위한 Cr 촉매가 연구되었다. 촉매의 제조는 메조포러스 물질인 SBA-15와 ${\gamma}$-alumina 지지체로 사용되었고 지지체의 표면 위에 Cr 산화물을 담지시키는 방법은 함침법이 사용되었고, Cr의 분산성을 높이기 위하여 구조 증진제로 Ti, Zr를 분산시킨 위에 Cr을 담지하여 특성분석 하였다. 촉매특성은 XRD, FT-IR, UV-Vis, ICPAES, SEM, TEM 등을 이용하여 분석하였다. Cr 촉매에서 넓은 표면적을 가진 지지체의 효과는 전환율에 큰 차이를 보이지 않고 Ti, Zr이 증진제로 사용된 촉매의 경우 trans-2-부텐의 선택도가 높아짐을 보였다.

Calycotomine의 입체선택적 합성 연구 (Studies Directed Toward Asymmetric Total Synthesis of Calycotomine)

  • 양정은;정재경
    • 약학회지
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    • 제53권3호
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    • pp.161-164
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    • 2009
  • Synthetic studies directed toward an asymmetric total synthesis of calycotomine, an representative tetrahydroisoquinoline, are described. The application of N-tert-butane sulfinyl chiral auxiliary to the Pictet-Spengler type reaction for the efficient synthesis of tetrahydroisoquinoline skeleton has been also investigated.

A Quantitative Analysis of $\pi$-Nobonded and Through-Bond Interactions in n-Butane, n-Buthyl Radical and Tetramethylene Diradical$^1$

  • Lee Ikchoon;Cheun Young Gu
    • Bulletin of the Korean Chemical Society
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    • 제3권1호
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    • pp.1-4
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    • 1982
  • A quantitative treatment of ${\pi}$-nonbonded and $n-{\sigma}^{\ast}$ interactions and through-bond coupling effect was attempted using n-butane, n-butyl radical, and tetramethylene diradical. Results of STO-3G level calculations showed that: (1) conformational preferences can be predicted quantitatively based solely on the additive effect of ${\pi}$-nonbonded and $n-{\sigma}^{\ast}$ interactions, the predominant effect being the ${\pi}$-nonbonded interactions, (2) $(n-{\sigma}^{\ast})_{anti}$ is destabilizing whereas $(n-{\sigma}^{\ast})_{syn}$ is weakly stabilizing, which are contrary to what we expect from the normal $n-{\sigma}^{\ast}$ interaction, (3) througb-bond coupling of the two radical lobes is destabilizing for the triplet but stabilizing for the singlet tetramethylene diradical.

Effects of various densities and velocities on gaseous hydrocarbon fuel on near nozzle flow field under different laminar coflow diffusion flames

  • Ngorn, Thou;Jang, Sehyun;Yun, Seok Hun;Park, Seol Hyeon;Lee, Joo Hee;Chung, Suk Ho;Choi, Jae Hyuk
    • Journal of Advanced Marine Engineering and Technology
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    • 제40권2호
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    • pp.102-106
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    • 2016
  • An experimental study on the flow characteristics under various laminar coflow diffusion flames was 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 the fuels. A coflow burner and the Schlieren imaging technique were used to observe the flow field of each fuel near the nozzle exit as well as the flow characteristics in the flames. The results show that a vortex with a density heavier than air appeared in n-butane near the nozzle exit with a strong negative buoyancy on the fuel steam. As the Reynolds number increased through the control of the fuel velocity of the n-butane flame, the vortices were greater and the vortex tips were moved up from the nozzle exit. In addition, the heated nozzle affected the flow fields of the fuel steam near the nozzle exit.