• 제목/요약/키워드: Chemical equilibrium analysis

검색결과 227건 처리시간 0.026초

Studies of Radicals Generated in Supersonic Flash Pyrolysis by Laser Induced Fluorescence Spectroscopy

  • 김희경;권한철;박종호;최영상;최종호
    • Bulletin of the Korean Chemical Society
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    • 제20권12호
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    • pp.1441-1446
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    • 1999
  • Laser-induced fluorescence (LIF) spectroscopy has been applied to study the supersonic jet of radicals of nitric oxide (NO) and atomic iodine produced in the flash pyrolysis of precursors n-butylnitrite (CH₃(CH₂)₃ONO) and allyl iodide (C₃$H_5$I), respectively. The systematic population analysis with spectral simulations demonstrates that the precursors are efficiently pyrolyzed and that radical beams show a substantial supersonic cooling. In addition, absence of local equilibrium was observed in the distributions of two electronic spin-orbit states ²Π$_{1/2}$ and ²Π$_{3/2}$ of NO products and can be rationalized in terms of the efficiency of collision-induced energy transfer rates.

이중연소 램제트엔진의 성능해석 기법 (Performance Analysis Method for Dual Combustion Ramjet Engines)

  • 서봉균;염효원;성홍계;길현용;윤현걸
    • 한국추진공학회:학술대회논문집
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    • 한국추진공학회 2011년도 제36회 춘계학술대회논문집
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    • pp.326-330
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    • 2011
  • 이중연소 램제트엔진의 아음속 연소기의 연소가스와 스크램제트 모드로 흡입되는 흡입공기의 혼합 및 초음속 연소를 고려한 이중연소램제트 성능해석 기법을 개발하고 검증하였다. 극초음속 흡입구의 유동특성을 고려하기 위하여 Taylor-Maccoll 방정식을 사용하였으며 초음속 연소기 해석을 위해 준 1차원 연소모델 및 CEA를 이용한 화학 평형 모델을 적용하였다. 개발된 모델을 통하여 계산된 흡입구와 연소기에서의 열역학 데이터를 수치해석 결과와 비교하였다.

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대기압 플라즈마 유도 그라프트 공중합으로 합성된 망상형 PU-g-PAAc 폼의 미생물 고정화능 향상 (Enhancement of Microbial Immobilization on the Surface of a Reticulated PU-g-PAAc Foam prepared through Graft Copolymerization induced by Atmosoheric Pressure Plasma Treatment)

  • 명성운;장영미;남기천;최호석;조대철
    • KSBB Journal
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    • 제19권5호
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    • pp.399-405
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    • 2004
  • A reticulated PU-g-PAAc foam was modified through the surface treatment of PU foam by one atmospheric pressure plasma. The synthesized PU-g-PAAc foam was prepared for the purpose of immobilizing microbial organisms. We also attempted different plasma treatment methods including simple plasma treatment, plasma induced grafting and plasma induced grafting followed by plasma re-treatment. The effect of grafting on equilibrium water content (EWC) of PU forms was examined by swelling measurements. Adhesion test was performed to investigate the effect of different plasma treatment methods on the improvement of microbial immobilization. Two foams modified by plasma induced grafting and plasma re-treatment after grafting showed 2.7 and 3.0 fold higher microbial immobilization than unmodified one, respectively. Meanwhile, simple plasma treatment showed a little enhancement. FT-IR analysis of each sample verified the contribution of surface functional groups on the enhancement of microbial immobilization. SEM observation confirmed microbial adherence.

Functionalized magnetite / silica nanocomposite for oily wastewater treatment

  • Hakimabadi, Seyfollah Gilak;Ahmadpour, Ali;Mosavian, Mohammad T. Hamed;Bastami, Tahereh Rohani
    • Advances in environmental research
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    • 제4권2호
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    • pp.69-81
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    • 2015
  • A new magnetite-silica core/shell nanocomposite ($Fe_3O4@nSiO_2@mSiO_2$) was synthesized and functionalized with trimethylchlorosilane (TMCS). The prepared nanocomposite was used for the removal of diesel oil from aqueous media. The characterization of magnetite-silica nanocomposite was studied by X-ray diffraction (XRD), Fourier transform infrared (FTIR), transmission electron microscopy (TEM), surface area measurement, and vibrating sample magnetization (VSM). Results have shown that the desired structure was obtained and surface modification was successfully carried out. FTIR analysis has confirmed the presence of TMCS on the surface of magnetite silica nanocomposites. The low- angle XRD pattern of nanocomposites indicated the mesoscopic structure of silica shell. Furthermore, TEM results have shown the core/shell structure with porous silica shell. Adsorption kinetic studies indicated that the nanocomposite was able to remove 80% of the oil contaminant during 2 h and fit well with the pseudo-second order model. Equilibrium studies at room temperature showed that the experimental data fitted well with Freundlich isotherm. The magnetic property of nanocomposite facilitated the separation of solid phase from aqueous solution.

Structural and Bonding Trends among the B7C11-,B6C2, and B5C31+

  • Park, Sung-Soo
    • Bulletin of the Korean Chemical Society
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    • 제26권1호
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    • pp.63-71
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    • 2005
  • Equilibrium geometries, electronic structures, and energies of borocarbon clusters (binary compounds of carbon and boron), an unexplored class of molecules with highly unusual characteristics and potential for further development, have been investigated by means of B3LYP/6-311+G$^*$ density functional theory computations. A large number of B$_7$C${_1}^{1-}$, B$_6C_2$, and B$_5C_{3}\,^{1+}$ clusters with planar and non-planar monocyclic and polycyclic rings, as well as cage structures, have been systematically studied. Unexpectedly, planar forms are predicted not only to be the most stable structures, but also, in many cases, to have unprecedented planar heptacoordinate boron (p-heptaB) and planar heptacoordinate carbon (p-heptaC) arrangements. All these pheptaB and p-heptaC have 6π electrons and are aromatic according to the nucleus independent chemical shift (NICS). This novel bonding pattern is analyzed in terms of natural bond orbital (NBO) analysis. For virtually all possible B$_7$C${_1}^{1-}$, B$_6C_2$, and B$_5C_{3}\,^{1+}$ combinations, the p-heptaB arrangements are the more stable than other type structures.

글리시돌을 원료로 한 비이온 계면활성제 합성에 관한 연구 (A Study on Synthesis of Glycidol Based Nonionic Surfactant)

  • 임종주;김병조;최규용
    • Korean Chemical Engineering Research
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    • 제50권2호
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    • pp.282-291
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    • 2012
  • 글리시돌과 라우릭산으로부터 PGLE와 PGLE3 비이온 계면활성제를 합성하였으며, 합성한 계면활성제들의 구조를 $^1H$$^{13}C$ NMR 분석을 통하여 확인하였다. PGLE와 PGLE3 비이온 계면활성제의 CMC는 각각 $3.59{\times}10^{-2}$ mol/L, $8.80{\times}10^{-1}$ mol/L이며, CMC에서의 표면장력 값은 각각 26.09 mN/m과 28.68 mN/m이었다. 동적 표면장력 측정 결과에 의하면 PGLE와 PGLE3 비이온 계면활성제 모두, 공기와 수용액의 계면이 계면활성제 단분자에 의하여 비교적 짧은 시간 내에 포화되었으며, 1 wt% PGLE와 PGLE3 계면활성제 시스템들의 접촉각은 각각 $25.5^{\circ}$$9.5^{\circ}$ 나타내었다. 비극성 오일 n-decane과 1 wt% 계면활성제 수용액 사이의 계면장력은 시간에 따라 감소하며, PGLE와 PGLE3 시스템 모두 20분 이내에 평형에 도달하였고, 평형에서의 계면장력 값은 각각 0.42 mN/m와 0.53 mN/m를 나타내었다. PGLE 비이온 계면활성제가 PGLE3 비이온 계면활성제에 비하여 거품 안정성이 큼을 확인하였으며, 이러한 거품 안정성 측정 결과는 표면장력 측정 결과와도 일치하였다. 계면활성제, 물, 비극성 탄화수소 오일로 이루어진 3성분 시스템에 보조계면활성제를 첨가하여 $25{\sim}60^{\circ}C$의 온도에서 상평형 실험을 수행한 결과, lower phase 마이크로에멀젼 혹은 oil in water 마이크로에멀젼이 excess oil 상과 평형을 이루는 2상 영역만이 관찰되었다.

내부 원형 그루브를 갖는 저속 드라이 가스 시일의 윤활 성능해석 (Lubrication Performance Analysis of A Low-Speed Dry Gas Seal having An Inner Circular Groove)

  • 이안성;김준호
    • 한국윤활학회:학술대회논문집
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    • 한국윤활학회 2004년도 학술대회지
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    • pp.201-208
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    • 2004
  • In this study a general Galerkin FE lubrication analysis method was utilized to analyze the complex lubrication performance of a spiral groove seal having an additional inner circular groove, which was designed for a chemical process mixer operating at a low speed of the maximum 500 rpm. Equilibrium seal clearance analyses under varying outer pressure revealed that the seal maintains a certain levitation seal clearance under the outer pressure of more than about 1.5 bar, regardless of a rotating speed. Also, under the normal outer pressure of 11 bar, the axial stiffness of the seal was predicted to have a high value of more than 7.0e+07 N/m, regardless of a rotating speed and thereby, the seal is expected to maintain a stable thickness of lubrication film under a certain external excitation acting.

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1차원 동적수질모형을 활용한 용담댐 하류하천의 수온변동 모의 (Modeling of Water Temperature in the Downstream of Yongdam Reservoir using 1-D Dynamic Water Quality Simulation Model)

  • 노준우;김상호;신재기
    • 한국물환경학회지
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    • 제26권2호
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    • pp.356-364
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    • 2010
  • The chemical and biological reaction of the aquatic organism is closely related with temperature variation and water temperature is one of the most important factors that should be considered in establishing sustainable reservoir operation scheme to minimize adverse environmental impacts related with dam construction. This paper investigates temperature variation in the downstream of Yongdam Reservoir using sampled data collected from total 8 temperature monitoring stations placed along the main river and the major tributaries. Using KoRiv1, 1-dimensional dynamic water quality simulation model, temperature variation in the downstream of Yongdam Reservoir has been simulated. The simulated results were compared with sampled data collected from May 15 to August 1 2008 by applying two different temperature modeling schemes, equilibrium temperature and full heat budget method. From the result of statistical analysis, seasonal temperature variation has been simulated by applying the equilibrium temperature scheme for comparison of the difference between the reservoir operation and the natural conditions.

燃燒氣體의 熱力學的 平衡組成計算에 관한 硏究 (Calculation of thermodynamical equilibrium composition of combustion gases)

  • 허병기;이청종
    • 대한기계학회논문집
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    • 제11권1호
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    • pp.177-188
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    • 1987
  • 본 논문에서는 연소기체의 열력학적 평형조성 계산을 위한 수식을 Gibbs의 자 유에너지 최소화법에 의하여 유도하고 이를 컴퓨터 프로그램화하여, Table 1의 특성을 지닌 연료에 대하여 ⅰ) 연소공기량에 따른 평형조성 및 단열불꽃온도, ⅱ) 연소온도 변화에 따른 평형조성의 변화를 계산함으로써 연소기체의 생성기구를 열력학적으로 해 석하였다.

Effect of Nucleation and Growth Dynamics on Saturation Magnetization of Chemically Synthesized Fe Nanoparticles

  • Ogawa, T.;Seto, K.;Hasegawa, D.;Yang, H.T.;Kura, H.;Doi, M.;Takahashi, M.
    • Journal of Magnetics
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    • 제16권3호
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    • pp.308-311
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    • 2011
  • In order to obtain mono-dispersed Fe NPs with high saturation magnetization, quantitative analysis method to investigate the growth dynamics of the Fe NPs synthesized by a conventional thermal decomposition method has been developed. As a result, fast nucleation process promotes formation of ~4 nm of initial nucleus with a non-equilibrium phase, resulting in low saturation magnetization. And slow particle growth with atomic-scaled surface precipitation mode (< 100 atoms/($min{\cdot}nm^2$)) can form the growth layer on the surface of initial nucleus with high saturation magnetization (~190 emu/$g_{Fe}$) as an equilibrium a phase of Fe. Therefore, higher stabilization of small initial nucleus generated just after the injection of $Fe(CO)_5$ should be one of the key issues to achieve much higher $M_s$ of Fe NPs.