• 제목/요약/키워드: surface phase transition

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Transition-State Structures for Solvolysis of Methanesulfonyl Chloride

  • 양기열;강금덕;구인선;이익준
    • Bulletin of the Korean Chemical Society
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    • 제18권11호
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    • pp.1186-1191
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    • 1997
  • Solvolyses of methanesulfonyl chloride (CH3SO2Cl) in water and methanol have been studied theoretically using ab initio self-consistent reaction field (SCRF) molecular orbital method. All stationary structures including transition state on the potential energy surface in solution have been found and compared with the gas phase structures. The overall reaction occurs via a concerted SN2 mechanism with a non-cyclic trigonal bipyramidal transition state, and the activation barrier is lowered significantly in solution. The transition state for the hydrolysis reaction is looser than that for the methanolysis reaction, and this is in accord with the experimental findings that an SN2 type mechanism, which is shifted toward an SN1 process or an SAN process in the hydrolysis and alcoholysis reaction, respectively, takes place. The catalytic role of additional solvent molecules appears to be a purely general-base catalysis based on the linear transition structures. Experimental barrier can be estimated by taking into account the desolvation energy of nucleophile in the reaction of methanesulfonyl chloride with bulk solvent cluster as a nucleophile.

일반한천, 분무건조한천, 압출성형한천의 열 특성 및 표면구조의 비교 (Comparison of Thermal Properties and Surface Structures of Unmodified, Spray-Dried, and Extrusion-Dried Agar)

  • 김희구;손홍주
    • 한국식품영양학회지
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    • 제10권2호
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    • pp.234-240
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    • 1997
  • 식품산업을 포함한 다양한 분야에서 이용되고 있는 한천의 용도를 개발하기 위하여 각종 물리적인 처리가 한천의 열적 특성에 미치는 영향과 각 처리에 다른 표면구조의 변화를 조사하였다. 시차주사 열량분석기를 이용하여 w사한 일반한천의 흡열개시온도(To), 최대흡열점의 온도(Tp) 및 흡열완료온도(Te)는 81.20, 95.51 및 $112.14^{\circ}C$였으며, 분무건조한천은 60.11, 76.45 및 $89.54^{\circ}C$였고, 압출성형한천은 41.30, 61.72 및 $80.50^{\circ}C$로 압출성형한천이 가장 낮은 온도에서 진행되었다. 또한 엔탈피도 일반한천 3.22cal/g, 분무\ulcorner한천 1.53cal/g, 압출성형한천 0.73cal/g의 순서로 압출성형한천에서 가장 낮았다. 완전히 가열용해한 각 한천을 다시 냉각, 응고 후에 다시 승온하였을 때의 To, Tp 및 Te는 일반한천 80.70, 95.61 및 $110.92^{\circ}C$, 붐무건조한천 79.54, 93.76 및 $109.84^{\circ}C$, 압출성형한천 79.25, 93.19 및 $108.77^{\circ}C$로 한천의 종류에 따른 차이는 없었다. 엔탈피 역시 큰 차이를 보이지 않았다. 광학현미경과 주사전자현미경에 의해 표면구조를 관찰한 결과, 일반한천의 경우 단단한 구조로 균열이나 기공들이 관찰되지 않았고, 분무건조한천은 많은 미세입자들이 다량으로 느슨하게 붙어있는 다공질구조로 외부에 노출되는 표면적이 넓었으며, 압출성형한천은 굴곡, 요철 및 균열이 생겨서 수분침투가 용이한 구조를 이루고 있었다.

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Effects of hydration structure on the femtosecond white light-induced phase transition to crystalline silicon nanocrystal having ultrabright narrowed luminescence

  • Choi, Kyong-Hoon;Wang, Kang-Kyun;Ha, Jeong-Hyon;Kim, Yong-Rok
    • Rapid Communication in Photoscience
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    • 제4권3호
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    • pp.54-58
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    • 2015
  • Under the condition of femtosecond impulsive nonlinear optical irradiation, the bright and narrowed blue emission of silicon nanocrystal was observed. This synthetic method produced very small (~ 4 nm) oxide-capped silicon nanocrystal having probably ultra small emitting core (~ 1 nm) inferred from luminescence. By controlling the stirring condition, very high efficiencies of luminescence ( 4 fold higher) were obtained compared with the other conventional femtosecond laser fragmentation methods, which was attributed to the differences in hydration shell structure during the femtosecond laser induced irreversible phase transition reaction. When we properly adjusted the irradiation times of the white light continuum and stirring condition, very homogeneous luminescent silicon nanocrystal bands having relatively sharp lineshape were obtained, which can be attributable to the luminescent core site isolated and free from the surface defects.

The Role of Oxygen for Expressing Superconductivity in La-Ca-Cu-O Compounds

  • 정동운
    • Bulletin of the Korean Chemical Society
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    • 제20권3호
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    • pp.281-284
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    • 1999
  • Two La1.82Ca1.18Cu2O6+δ (2126) compounds exhibited different properties depending upon how they were synthesized. The compound prepared under high oxygen pressure showed superconductivity. But the compound prepared under low oxygen pressure did not exhibit superconductivity, and showed a metal-insulator transition. Our study on these compounds shows that a small amount of additional oxygen intercalated into the superconducting phase plays an important role for superconductivity. The Fermi surface of non-superconducting 2126 compound possesses nesting phenomena, which is the reason for the M-1 transition. On the other hand, the superconducting 2126 compound does not show Fermi surface nesting. This is because the additional oxygen removes some electrons from Cu d-orbitals, thereby bradking the Fermi surface nesting.

EIS를 이용한 표면코팅 경량골재 종류별 시멘트 경화체의 계면 분석 (ITZ Analysis of Cement Matrix According to Surface Coated Lightweight Aggregate Type using EIS)

  • 김창현;정수미;김주성;박선규
    • 한국건축시공학회:학술대회논문집
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    • 한국건축시공학회 2023년도 가을학술발표대회논문집
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    • pp.151-152
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    • 2023
  • Lightweight aggregates has a dry specific gravity of 2.0 or less, which is lower than natural aggregates. Lightweght aggregate is efficient for weight reduction but has low compressive strength. In this study, EIS(electrochemical Impedance Spectroscopy) was used to confirm the ITZ(Interfacial Transition Zone) between the lightweight aggregate and cement paste according to the coated of blast furnace slag powder. As a result of EIS measurement, the correlation between ITZ characteristics and compressive strength was determined. The phase angle of EIS was different depending on the blast furnace slag powder coated of the lightweight aggregate. The surface-cotead lightweight aggregate was improved and the ITZ was strengthened.

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Snapshot of carrier dynamics from amorphous phase to crystal phase in Sb2Te3 thin film

  • Choi, Hyejin;Jung, Seonghoon;Ahn, Min;Yang, Won Jun;Han, Jeong Hwa;Jung, Hoon;Jeong, Kwangho;Park, Jaehun;Cho, Mann-Ho
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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    • pp.139.2-139.2
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    • 2016
  • Electrons and phonons in chalcogenide-based materials play are important factors in the performance of an optical data storage media and thermoelectric devices. However, the fundamental kinetics of carriers in chalcogenide materials remains controversial, and active debate continues over the mechanism responsible for carrier relaxation. In this study, we investigated ultrafast carrier dynamics in an multilayered $\{Sb(3{\AA})/Te(9{\AA})\}n$ thin film during the transition from the amorphous to the crystalline phase using optical pump terahertz probe spectroscopy (OPTP), which permits the relationship between structural phase transition and optical property transitions to be examined. Using THz-TDS, we demonstrated that optical conductance and carrier concentration change as a function of annealing temperature with a contact-free optical technique. Moreover, we observed that the topological surface state (TSS) affects the degree of enhancement of carrier lifetime, which is closely related to the degree of spin-orbit coupling (SOC). The combination of an optical technique and a proposed carrier relaxation mechanism provides a powerful tool for monitoring TSS and SOC. Consequently, the response of the amorphous phase is dominated by an electron-phonon coupling effect, while that of the crystalline structure is controlled by a Dirac surface state and SOC effects. These results are important for understanding the fundamental physics of phase change materials and for optimizing and designing materials with better performance in optoelectronic devices.

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Order-to-disorder Behavior of Block Copolymer Films

  • 류두열;김은혜;최승훈
    • 한국재료학회:학술대회논문집
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    • 한국재료학회 2011년도 춘계학술발표대회
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    • pp.6.2-6.2
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    • 2011
  • Block copolymer (BCP) self-assembly in a film geometry has recently been the focus of increased research interest due to their potential use as templates and scaffolds for the fabrication of nanostructured materials. The phase behavior in a thin film geometry that confines polymer chains to the interfaces will be influenced by the interfacial interactions at substrate/polymer and polymer/air and the commensurability between the equilibrium period (L0) of the BCP and the total film thickness. We investigated the phase transitions for the films of block copolymers (BCPs) on the modified surface, like the order-to-disorder transition (ODT) by in-situ grazing incidence small angle x-ray scattering (GISAXS) and transmission electron microscopy (TEM). The selective interactions on the surface by a PS-grafted substrate provide the preferential interactions with the PS component of the block, while a random copolymer (PS-r-PMMA) grafted substrate do the balanced interfacial interactions on the surface. The thickness dependence of order-to-disorder behavior for BCP films will be discussed in terms of the surface interactions.

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지르코니아 표면 가공에 따른 상변이 (Phase transition of Zirconia by surface treatments)

  • 이정수;심정석;정형호
    • 대한치과기공학회지
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    • 제32권2호
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    • pp.57-63
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    • 2010
  • Purpose : This study aimed to find out the effects of treatments on the surface of Zirconia. Methods : To this end, we selected six treatments that have been used widely: steam cleaning, 2bar & 6bar sand blasting, grinding by green stone point, grinding by diamond bur, and grinding by diamond bur with water spray. Results : The results of our study showed that monoclinic rate increased from all six treatments. Monoclinic rate varied by treatments, ranged from 0.6% (steam cleaning) to 6.5% (6bar sand blasting). These values from all six treatments were below ISO 13356 standard, which is 25%. Also, we found that two treatments (green stone point and diamond bur) increased roughness of surface of Zirconia. Conclusion : This study concluded that phase changes of Zirconia were not significant by using six treatments we employed.

연속고체 표면 위의 단순유체 홑층에 대한 시늉연구 (A Simulational Study of a Simple Fluid Monolayer on a Smooth Solid Surface)

  • 한규광
    • 자연과학논문집
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    • 제10권1호
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    • pp.1-7
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    • 1998
  • 대정준 몬테카를로 시늉을 집중적으로 수행하여 무결정 연속고체 표면 위에 흡착된 Lennard-Jones 유체의 홑층에 대해 덮힘률 $\theta$ ~ 0.8에서 1.8 까지를 연구하였다. 시늉 결과는 최근 흑연위의 알곤 홑층 녹기에 대한 열역학적 실험측정에서 관찰되어졌던 두 단계의 녹음 행태를 뚜렷이 보여 주었다. 본 연구에서 관찰된 녹음 행태는 갑작스러운 밀도 변화 후에 점진적인 상전이로 이루어진다. 홑층 구조에 대한 스냅 사진들은 녹기과정에 어긋나기 짝의 형성과 그 짝의 분리가 연루되어 있다는 것을 가르키고 있다. 계의 크기에 의한 효과를 감안하여, 갑작스러운 밀도 변화는 Kosterlitz, Thouless, Halperin, Nelson, and Young (KTHNY)의 이론과 무관할 것인 반면에, 두 번째의 점진적 전이는 KTHNY 타입의 녹기 상전이일 것이라고 사료된다.

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수소 전착에 관한 다결정 Ir표면의 흡착부위 효과 (Effects of Adsorption Sites of the Polycrystalline Ir Surface on Potentially Deposited H)

  • 천장호;문경현
    • 전기화학회지
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    • 제2권3호
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    • pp.144-149
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    • 1999
  • 0.2M LiOH전해질 내의 다결정 Ir표면에서 저전위 및 과전위 전착된 수소(UPD H및 OPD H)의 전이와 2구별되는 흡착부위를 위상이동 방법을 이용하여 연구하였다 순방향과 역방향 주사시, 순환 전압전류도에 UPD H 봉우리가 나타난다. 위상이동 변화 또는 Langmuir흡착등온식에 전이영역(-0.80 to -0.95 V vs. SCE)이 나타난다. 전이영역(-0.80 to -0.95 V vs. SCE)에서 수소 흡착평형상수(K)는 $7.9\tiems10^{-2}$에서 $1.5\times10^{-4}$또는 $1.5\times10^{-4}$에서 $7.9\times10^{-2}$로 전이한다. 마찬가지로, 수소 흡착표준자유에너지$({\Delta}G_{ads})$도 6.3kJ/mol에서 21.8kJ/mol 또는 21.8kJ/mol에서 6.3kJ/mol로 전이한다. 다결정 Ir표면에서 UPD H와 OPD H는 구별이 가능한 2종류의 전착된 수소같이 작용한다. UPD H봉우리와 전이영역은 다결정 Ir 표면에서 UPD H와 OPD H의 2 구별되는 흡착부위에 기인한다.