• Title/Summary/Keyword: Detailed Chemistry

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Temperature and Pressure Dependence of the Nuclear Magnetic Relaxation Rates of -$NH_2$ Group in Thioacetamide / Acetone Solutions (티오아세트아미드 / 아세톤 용액의 아민기의 핵자기이완속도의 온도 및 압력 의존)

  • Kim Keon;Choi Young Sang;Yoon Chang Ju;E. Lang
    • Journal of the Korean Chemical Society
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    • v.36 no.1
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    • pp.33-37
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    • 1992
  • Information about $^{14}N$ relaxation rates is obtained for thioacetamide (TA) in acetone from a detailed line-shape analysis of the $^1H$ resonance signal of $NH_2$ group. The effect of pressure and of temperature were investigated, and activation energies for molecular reorientation are given. And also $^1H$ relaxation rates of $NH_2$ group of TA as a function of pressure and temperature are obtained. These results are discussed with the results for the $^{14}N$ relaxation of amine group.

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Preparation of Micro-/Macroporous Carbons and Their Gas Sorption Properties

  • Hwang, Yong-Kyung;Shin, Hye-Seon;Hong, Jin-Yeon;Huh, Seong
    • Bulletin of the Korean Chemical Society
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    • v.35 no.2
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    • pp.377-382
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    • 2014
  • Micro-/macroporous carbons (MMCs) were prepared using a hollow mesoporous silica capsule (HMSC) as a sacrificial hard template. The carbonization process after the infiltration of furfuryl alcohol into the template-free HMSC material afforded MMC materials in high yield. The hard template HMSC could be removed by HF etching without deteriorating the structure of MMC. The MMC materials were fully characterized by SEM, TEM, PXRD, XPS, and Raman spectroscopy. The replication processes were so successful that MMCs exhibited a hollow capsular structure with multimodal microporosity. Detailed textural properties of MMC materials were investigated by volumetric $N_2$ adsorption-desorption analysis at 77 K. To explore the gas sorption abilities of MMCs for other gases, $H_2$ and $CO_2$ sorption analyses were also performed at various temperatures. The multimodal MMC materials were found to be good sorbents for both $H_2$ and $CO_2$ at low pressure.

The Investigation of Electro-Oxidation of Methanol on Pt-Ru Electrode Surfaces by in-situ Raman Spectroscopy

  • She, Chun-Xing;Xiang, Juann;Ren, Bin;Zhong, Qi-Ling;Wang, Xiao-Cong;Tian, Zhong-Qun
    • Journal of the Korean Electrochemical Society
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    • v.5 no.4
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    • pp.221-225
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    • 2002
  • Assisted by the highly sensitive confocal microprobe Raman spectrometer and proper surface roughening procedure, the Raman investigation on the adsorption and reaction of methanol was performed on Pt-Ru electrodes with different coverages. A detailed description of the roughening process of the Pt electrodes and the underpotential deposition of the Ru was given. Reasonably good Raman signal reflecting the metal-carbon vibration and CO vibration was detected. The appearance of vibrations of the Ru oxides, together with the existence of Ru-C, Pt-C and CO bands, clearly demonstrates the participation of the bi-functional mechanism during the oxidation process of methanol on Pt-Ru electrodes. The Pt-Ru electrode was found to have a higher catalytic activity over Pt electrodes. This preliminary study shows that electrochemical Raman spectroscopy can be applied to the study of rough electrode surface.

Description of Cellobiohydrolases Ce16A and Ce17A from Trichoderma reesei Using Langmuir-type Models

  • Kim, Dong-Won;Hong, Young-Gwan
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.6 no.2
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    • pp.89-94
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    • 2001
  • The binding of cellobiohydrolases to cullulose is a crucial initial step in cellulose hydrolysis. In the search for a detailed understanding of the function of cellobiohydrolases, much information concerning how the enzymes and their constituent catalytic and cellulose-binding changes during hydrolysis is still needed. The adsorption of purified two cellobiohydrolases (Ce17A and Ce16A) from Trichoderma reesei cellulase to microcrystalline cellulose has been studied. Cellobiohydrolase II (Ce16A) does not affect the adsorption of cellobiohydrolase I (Ce17A) significantly, and there are specific binding sites for both Ce17A and Ce16A. The adsorption affinity and tightness of the cullulase binding domain (CBD) for Ce17A are larger than those of the CBD for Ce16A. The CBD for Ce17A binds more rapidly and tightly to Avicel than the CBD for Ce16A. The decrease in adsorption observed when the two cellobihydrolases are studied together would appear to be the result of competition for binding sites on the cellulose. Ce17A competes more efficiently for binding sites than Ce16A. Competition for binding sites is the dominating factor when the two enzymes are acting together, furthermore adsorption to sites specific for Ce17A and Ce16A, also contributes to the total adsorption.

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Understanding the Mechanism of Solid Electrolyte Interface Formation Mediated by Vinylene Carbonate on Lithium-Ion Battery Anodes (리튬 이온 배터리 음극에서 비닐렌 카보네이트가 매개하는 고체 전해질 계면 형성 메커니즘 연구)

  • Jinhee Lee;Ji-Yoon Jeong;Jaeyun Ha;Yong-Tae Kim;Jinsub Choi
    • Journal of the Korean institute of surface engineering
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    • v.57 no.2
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    • pp.115-124
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    • 2024
  • In advancing Li-ion battery (LIB) technology, the solid electrolyte interface (SEI) layer is critical for enhancing battery longevity and performance. Formed during the charging process, the SEI layer is essential for controlling ion transport and maintaining electrode stability. This research provides a detailed analysis of how vinylene carbonate (VC) influences SEI layer formation. The integration of VC into the electrolyte markedly improved SEI properties. Moreover, correlation analysis revealed a connection between electrolyte decomposition and battery degradation, linked to the EMC esterification and dicarboxylate formation processes. VC facilitated the formation of a more uniform and chemically stable SEI layer enriched with poly(VC), thereby enhancing mechanical resilience and electrochemical stability. These findings deepen our understanding of the role of electrolyte additives in SEI formation, offering a promising strategy to improve the efficiency and lifespan of LIBs.

Modeling for Soot Formation Coupled with Detailed Chemistry in Laminar Pressurized Non-premixed Flames (층류 고압 비예혼합 화염에서 상세화학반응과 결합된 매연입자 생성 모델링)

  • Kim, Taehoon;Jeon, Sangtae;Kim, Yongmo
    • 한국연소학회:학술대회논문집
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    • 2012.11a
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    • pp.139-140
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    • 2012
  • In laminar non-premixed flame situation, the flamelet model is not suitable for simulating slow processor like soot and radiation. Thus in this study, we overcome this limitation by using the transient flamelet model. Also, for soot formation on laminar non-premixed flame, transient flamelet coupled with two-equation soot model has been adopted due to its inherent advantages in terms of accuracy and availability. Based on numerical results, the detailed discussion has been made for the precise structure and soot formation processes in the pressurized methane air flames.

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Reactants Transport Mechanism in Counterflow Nonpremixed Flame Perturbed by a Vortex (와동에 의해 교란된 대향류 비예혼합화염의 반응물 전달기구)

  • Oh, Chang-Bo;Lee, Chang-Eon
    • Proceedings of the KSME Conference
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    • 2003.04a
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    • pp.1690-1696
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    • 2003
  • A two-dimensional direct numerical simulation is performed to investigate the flame structure of $CH_4/N_2$-Air counterflow nonpremixed flame interacting with a single vortex. The detailed transport properties and a modified 16-step augmented reduced mechanism based on Miller and Bowman's detailed chemistry are adopted in this calculation. The results show that an initially flat stagnation plane, where an axial velocity is zero, is deformed into a complex-shaped plane, and an initial stagnation point is moved far away from vortex head when the counterflow field is perturbed by the vortex. It is noted that the movement of stagnation point can alter the mechanism of reactants (fuel and oxidizer) fluxes into the flame surface, and then can alter the flame structure.

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Computational Validation of Supersonic Combustion Phenomena associated with Hypersonic Propulsion (극초음속 추진과 관련된 초음속 연소 현상의 수치적 검증)

  • Choi Jeong-Yeol;Jeung In-Seuck;Yoon Youngbin
    • 한국전산유체공학회:학술대회논문집
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    • 1998.05a
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    • pp.117-122
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    • 1998
  • A numerical study is carried out to investigate the transient process of combustion phenomena associated with hypersonic propulsion devices. Reynolds averaged Navier-Stokes equations for reactive flows are used as governing equations with a detailed chemistry mechanism of hydrogen-air mixture and two-equation SST turbulence modeling. The governing equations are discretized by a high order accurate upwind scheme and solved in a fully coupled manner with a fully implicit time accurate method. At first, oscillating shock-induced combustion is analyzed and the comparison with experimental result gives the validity of present computational modeling. Secondly, the model ram accelerator experiment was simulated and the results show the detailed transient combustion mechanisms. Thirdly, the evolution of oblique detonation wave is simulated and the result shows transient and final steady state behavior at off-stability condition. Finally, shock wave/boundary layer interaction in combustible mixture is studied and the criterion of boundary layer flame and oblique detonation wave is identified.

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Numerical Analysis for the Detailed Structure and the Soot Formation Mechanism in Counterflow Ethylene-Air Nonpremixed Flame (대향류 에틸렌/공기 비예혼합 화염의 구조 및 Soot 생성 메커니즘 해석)

  • 임효준;김후중;김용모
    • Transactions of the Korean Society of Automotive Engineers
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    • v.7 no.5
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    • pp.40-54
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    • 1999
  • The flame structure and soot formation in the counterflow Ethylene-Air nonpremixed flame are numerically analyzed. The present soot reaction mechanism involves nucleation, surface growth, particle coagulation, and oxidation steps. The gas phase chemistry and the soot nucleation, surface growth reactions are coupled by assuming that the nucleation and soot mass growth has the certain relationship with the concentration of benzene and acetylene. In terms of the centerline velocity and the soot volume fraction, the predicted results are compared with the experimental data. The detailed discussion has been made for the sensitivity of model constants and the deficiencies of the present model. Numerical results indicated that the acetylene addition to the soot surface plays the dominant role in the soot mass growth for the counterflow nonpremixed flame.

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Detailed Investigation on Factors Governing Liquid Crystal Alignment on Rubbed Polystyrene Films

  • Hahm, Seok-Gyu;Lee, Taek-Joon;Lee, Seung-Woo;Yoon, Jin-Hwan;Kim, Gha-Hee;Chang, Tai-Hyun;Ree, Moon-Hor
    • 한국정보디스플레이학회:학술대회논문집
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    • 2004.08a
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    • pp.899-902
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    • 2004
  • The molecular reorientations and surface morphologies of rubbed films formed from atactic polystyrene (PS) samples with various molecular weights were investigated in detail. Previously unknown surface topography features were newly discovered in rubbed films, depending on molecular weights: submicroscale groove-like meandering structures composed of fine-grooves like pebbles in tens nanometers are present, oriented perpendicular to the rubbing direction. The vinyl main chains, however, were preferentially reoriented along the rubbing direction and the planes of the phenyl side groups were preferentially reoriented perpendicular to the rubbing direction with para-directions that were positioned nearly normal to the film plane. Nematic liquid crystal (LC) molecules were found to always align on the rubbed PS surfaces along the orientation direction of the submicroscale grooves generated by rubbing.

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