• Bulletin of the Korean Chemical Society
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• 제35권4호
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• pp.1023-1028
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• 2014

Protonated caffeine ($CH^+$) and glucosamine ($GH^+$) overlapped in an analysis with ion mobility spectrometryquadrupole mass spectrometry. Ethyl lactate vapor (L) at different concentrations from 0 to 22 mmol $m^{-3}$ was added as a buffer gas modifier to separate these signals. The drift times of $CH^+$ and $GH^+$ increased with L concentration. The drift time increase was associated to clustering equilibria of $CH^+$ and $GH^+$ with one molecule of L and the equilibrium of $GH^+$ was more displaced to the formation of $GLH^+$ than that of $GLH^+$. $GH^+$ clustered more to L than $CH^+$ because $GLH^+$ formed more stable hydrogen bonds (26.30 kcal/mol) than $GLH^+$ (24.66 kcal/mol) and the positive charge in $GH^+$ was more sterically accessible than in $CH^+$. The aim of this work was to use theoretical calculations to guide the selection of a buffer gas modifier for IMS separations of two compounds that overlap in the mobility spectra and predict this separation, simplifying that empirical process.

• 대한화학회지
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• 제62권5호
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• pp.344-351
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• 2018

이 연구에서는 기체 상태 페난트렌, 페난트렌올, 페난트레닐 라디칼, 하이드록실 페난트렌 라디칼에 대한 IR 스펙트럼을 BLYP/6-311++G(d,p)법을 사용하여 얻었다. 이 스펙트럼들을 비교함으로써 ${\cdot}OH$에 의한 페난트렌의 분해 반응 경로를 동정하는데 IR 스펙트럼 측정이 유용하게 사용될 수 있음을 볼 수 있었다. IR 스펙트럼에서 H 원자 제거 과정은 CH의 out-of-plane 굽힘 진동 영역인 $650{\sim}850cm^{-1}$, ${\cdot}OH$ 첨가 과정은 CH 신축 및 굽힘 진동 영역에서 용이하게 확인 할 수 있음을 알 수 있었다. 또한 5종의 페난트렌-n-올 (n = 1, 2, 3, 4, 9) 모두에 대하여 얻어진 IR 스펙트럼 역시 여기에 주어졌다.

• 한국세라믹학회지
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• 제26권4호
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• pp.550-558
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• 1989

Polycrystalline diamond films have been deposited on Si wafer Ly hot W filament CVD method using CH4H2 mixtures. The effects of surface pretreatment, W filament temperature, CH4 volume fraction, and addition of water vapor on the growth rate and morphology of the films were investigated. Surface pretretment was essential for depositing a continuous diamond film. Raising the filament temperature resulted in an increased growth rate and a better crystal quality of the film. As the methane content is varied from 0.5% to 5%, well-faceted crystals gradually transformed into spherical particles of non-diamond phase with a simultaneous increase in the growth rate. Addition of water vapor markedly improved the crystallinity to produce crystalline particles even with 5% methane mixture.

• 한국연소학회:학술대회논문집
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• 한국연소학회 2006년도 제32회 KOSCO SYMPOSIUM 논문집
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• pp.149-156
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• 2006

Structure of edge flame established in a mixing layer, formed between two uniformly flowing pure $CH_4$ and pure $O_2$ streams, is numerically investigated by employing a detailed methane-oxidation mechanism. The numerical results exhibited the most outstanding distinction of using pure oxygen in the fuel-rich premixed-flame front, through which the carbon-containing compound is found to leak mainly in the form of CO instead of HC compounds, contrary to the rich $CH_4-air$ premixed flames in which $CH_4$ as well as $C_2H_m$ leakage can occur. Moreover, while passing through the rich premixed flame, a major route for CO production, in addition to the direct $CH_4$ decomposition, is found to be $C_2H_m$ compound formation followed by their decomposition into CO. Beyond the rich premixed flame front, CO is further oxidized into $CO_2$ in a broad diffusion-flame-like reaction zone located around moderately fuel-rich side of the stoichiometric mixture by the OH radical from the fuel-lean premixed-flame front. Since the secondary CO production through $C_2H_m$ decomposition has a relatively strong reaction intensity, an additional heat-release branch appears and the resulting heat-release profile can no longer be seen as a tribrachial structure.

• 한국연소학회지
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• 제11권1호
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• pp.19-26
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• 2006

Structure of edge flame established in a mixing layer, formed between two uniformly flowing pure $CH_4$ and pure $O_2$ streams, is numerically investigated by employing a detailed methane-oxidation mechanism. The numerical results exhibited the most outstanding distinction of using pure oxygen in the fuel-rich premixed-flame front, through which the carbon-containing compound is found to leak mainly in the form of CO instead of HC compounds, contrary to the rich $CH_4-air$ premixed flames in which $CH_4$ as well as $C_2H_m$ leakage can occur. Moreover, while passing through the rich premixed flame, a major route for CO production, in addition to the direct $CH_4$ decomposition, is found to be $C_2H_m$ compound formation followed by their decomposition into CO. Beyond the rich premixed flame front, CO is further oxidized into $CO_2$ in a broad diffusion-flame-like reaction zone located around moderately fuel-rich side of the stoichiometric mixture by the OH radical from the fuel-lean premixed-flame front. Since the secondary CO production through $C_2H_m$ decomposition has a relatively strong reaction intensity, an additional heat-release branch appears and the resulting heat-release profile can no longer be seen as a tribrachial structure.

• Bulletin of the Korean Chemical Society
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• 제26권4호
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• pp.641-644
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• 2005

Nucleophilic addition reactions of benzylamines $(XC_6H_4CH_2NH_2)\;to\;{\beta}$-cyanostilbenes ($YC_6H_4CH=C(CN)C_6H_4$Y’) have been studied in acetonitrile at 30.0 oC. A greater degree of N-$C_{\alpha}$ bond formation (larger ${\beta}_X$) is obtained with a stronger electron-withdrawing substituent in either ${\alpha}-\;(\delta\sigma_Y\;{\gt}\;0)\;or\;{\beta}-ring\;(\delta\sigma_{Y'}\;{\gt}$ 0). A stronger charge development is observed in the TS on $C_{\beta}\;(\rho_{Y'}$= 1.06 for X=Y=H) rather than on $C_{\alpha}\;(\rho_{Y}$ = 0.62 for X=Y’H) indicating the lag in the resonance development into the activating group (CN) on $C_{\beta}$ in the transition state. Similarly, the magnitude of $\rho$$_{XY'}$(−0.72) is greater than $\rho_{XY}$ (−0.66) due to a stronger interaction of the nucleophile with $\beta$-ring than $\alpha$-ring. The positive sign of $\rho_{YY'}$correctly reflects $\pi$ bond cleavage between the two rings in the TS. Relatively large kinetic isotope effects ($k_H/k_D\;{\geq}$ 2.0) involving deuterated nucleophiles ($XC_6H_4CH_2ND_2$) suggest a four-membered cyclic TS in which concurrent N-C$_{\alpha}$ and H(D)-C$_{\beta}$ bond formation occurs.

• 대한건축학회논문집:계획계
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• 제34권6호
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• pp.105-116
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• 2018

This study deals with 8-cheok(ch"), equivalent to 2.4m as the standard scale of architectural module in Korea. 8ch" of Korean module was a unique dimensions compared to other East-Asian architecture. It is inferred that it spread in Joseon Dynasty by the effects of the law which limited the size of buildings and materials according to social rank. 8ch" module was applied to the Palace architecture and the highest grade mansions rather than common and small houses. The application of 8ch" module changed the process of architectural planning, and bred the essential characteristics of Korean architecture in terms of appearance and techniques. In addition, it developed to gain multiformity of composition by combination of other modules.

• 대한화학회지
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• 제36권5호
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• pp.621-626
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• 1992

수용액 중에서 요오드와 $4-(C_9H_{19})C_6H4_O(CH_2CH_2O)_{40} [NP-(EO)_40]$간의 charge transfer(CT) 상호작용에 미치는 $Ca^{2+}$이온의 영향을 UV-visible spectrophotometer를 이용하여 조사하였다. CT 상호작용에 따른 최대 흡수는 390 nm 부근에서 나타났으며, $Ca^{2+}$ 이온 존재하에서는 370 nm 영역으로 이동되었다. 계면활성제 농도를 CMC 이상에서 고정시켰을 때, CT 상호작용에 따른 최대흡수곡선의 강도가 $Ca^{2+}$이온 첨가 농도에 따라 증가하다가 감소하는 변곡점을 보였다. CT 상호작용에 기인한 흡수곡선의 강도가 증가하는 것은 $Ca^{2+}$이온 존재하에서 미셀 구조가 더욱 조밀해진데 다른 요오드와의 donor-acceptor overlap 증가로 볼 수 있다. 이러한 현상들은 수용액 중에서 상대적으로 자유로이 여러가지 배향을 가질 수 있는 비이온성 계면활성제의 선형 oxyethylene(EO) 사슬이 유사 크라운 에테르 구조를 형성하여 $Ca^{2+}$이온과 착물을 형성할 수 있는 가능성을 보여준다.

• 한국산학기술학회논문지
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• 제19권6호
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• pp.167-175
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• 2018

천연 가스는 공기 오염 물질을 거의 배출하지 않는 깨끗한 연료입니다. 이 연구의 목적은 CNG 버스용 NGOC/LNT(천연가스산화촉매/질소산화물흡장)촉매의 메탄과 질소산화물 동시 저감에 관한 연구로 메탄과 질소산화물 저감 성능 개선과 관련하여 조촉매, washcoat 담지량, 교반 시간 및 담체 종류에 대해 주로 초점을 두었다. 더구나, 니켈은 알칼리성의 독성 산화물이고 메탄에 영향을 미치는 효과가 있기 때문에, 3 wt% 니켈이 담지된 천연가스산화촉매는 일반적으로 메탄 전환율을 통해 우수한 메탄 감소 성능을 나타낸다. 담체에 담지량이 적으면 유해 가스의 흡장량이 충분치 않고 워시 코트가 너무 많이 담지되면 담체의 셀이 막히게 되었다. 촉매의 경제적을 고려할 때 촉매에 담지되는 양은 124g/L가 적절하다. 물질마다 5시간 동안 교반된 NGOC/LNT 촉매의 200에서 550도 까지 NOx 전환율은 2시간 동안 교반된 NGOC/LNT 촉매보다 전체 온도 범위에서 10-15% 우수한 성능을 보였다. 세라믹 담체의 NGOC/LNT 촉매는 메탈 담체보다 약 20% 수준의 높은 메탄 저감 성능을 나타냈다.

• Bulletin of the Korean Chemical Society
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• 제3권4호
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• pp.162-165
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• 1982

The rate constants of the nucleophilic addition of thioglycolic acid to the derivatives $(H,\;p-CH_3,\;p-CH_3O,\;p-Cl,\;p-NO_2)$ of ${\beta}$-nitrostyrene were determined by ultraviolet spectrophotometry. The rate equations which can be applied over a wide pH range were obtained. Therefrom a reaction mechanism was proposed. Above pH 8.5 sulfide anion adds to the double bond (Michael type addtion). However, below pH 8.5, the neutral molecule and $HSCH_2COO^{\theta}$ add to the double bond.