• 제목/요약/키워드: Temperature transition

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분자동역학 전산모사를 이용한 나노튜브 강화 복합재료의 유리전이와 기계적 물성에 관한 파라메트릭 연구 (A Parametric Study on the Glass Transition and Mechanical Properties of CNT Based Nanocomposites Using Molecular Dynamics Simulation)

  • 양승화;조맹효
    • 한국전산구조공학회:학술대회논문집
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    • 한국전산구조공학회 2007년도 정기 학술대회 논문집
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    • pp.421-426
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    • 2007
  • A parametric study to investigate the effects of composition variables on the glass transition and mechanical properties of CNT-based nanocomposites was performed using molecular dynamics simulations. In this study, matrix chain length and CNT length were chosen as the candidate characteristic parameters. In order to understand the effect of both parameters in detail, three sample sets having different chain lengths with the same CNT configuration and two sample sets having different CNT lengths with same chain length were prepared. Other parameters such as volume fraction and density were fixed to enable rigorous comparisons. Amorphous polyethylene is used as matrix polymer and (10,0) zigzag CNT is embedded into the matrix to reinforce polymer matrix. As a result, longer polymer chain length of matrix solely increased glass transition temperature but no reinforcing enhancement was observed. CNT length showed similar increase with little enhancement of elastic modulus. In addition to this, nanocomposites showed temperature-dependent elastic modulus jump passing thorough the glass transition region agrees well with experimental results.

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Glass Transition Temperature of Honey Using Modulated Differential Scanning Calorimetry (MDSC): Effect of Moisture Content

  • Kim, Mi-Jung;Yoo, Byoung-Seung
    • Preventive Nutrition and Food Science
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    • 제15권4호
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    • pp.356-359
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    • 2010
  • Glass transition phenomena in nine Korean pure honeys (moisture content 18.3~20.1%) and honey-water mixtures by different water contents (0, 2, 5, and 10% w/w) were investigated with modulated different scanning calorimetry (MDSC). The total, reversing, and non-reversing heat flows were quantified during heating using MDSC. Glass transition was observed from reversing heat flow separated from the total heat flow. The glass transition temperatures ($T_g$) of pure honeys, which are in the range of $-42.7^{\circ}C$ to $-50.0^{\circ}C$, varied a lot with low determination coefficient ($R^2$=0.63), whereas those of honey-water mixtures decreased with a decrease in honey content. The $T_g$ values were also more significantly different among honey-water mixtures when compared to pure honeys, indicating that in the honey-water mixture system the $T_g$ values appear to be greatly dependent on moisture content. The measured heat capacity change (${\Delta}C_p$) was not influenced by moisture content.

TPR/TPO 실험기법을 이용한 전이금속산화물의 산화-환원 특성 연구 (Redox Property of Transition Metal Oxides in Catalytic Oxidation)

  • 김영호;이호인
    • 공업화학
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    • 제10권8호
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    • pp.1161-1168
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    • 1999
  • 3주기 전이금속(Cr~Zn)의 산화물 및 V, Mo, W의 산화물에 대하여 temperature-programmed reduction/trmperature-programmed oxidation(TPR/TPO) 실험을 통하여 그 산화-환원 특성을 조사하였다. TPO 곡선의 산화피크는 TPR 곡선의 환원피크와 비슷하거나 약간 낮은 온도에서 나타났으며, 환원피크에 비하여 온도 폭이 넓었다. 3주기 전이금속한화물의 산화 및 환원 과정의 활성화에너지는 33~149 kJ/mol 범위에 있는 반면, V, Mo, W 산화물에서는 더 컸다. 금속산화물의 산화 및 환원 과정의 활성화에너지 변화는 금속-산소 결합세기에 비례하였다. 환원(TPR) 및 산화(TPO) 과정에 대한 활성화에너지 차이(${\Delta}E_a$)가 작을수록 o-자일렌 산화반응에서 금속산화물 촉매의 활성화에너지도 작았다. 금속한화물 촉매에서 o-자일렌 산화반응은 금속산화물 표면의 산화-환원 과정을 반복하는 Mars-van Krevelen 반응 메카니즘으로 설명될 수 있음을 확인하였다.

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Ortho-cresol Novolac형 에폭시의 화학레올로지 특성에 미치는 아민 개질제의 영향 (Effect of Aminosiloxane Modifier on Chemorheological Properties of Ortho-cresol Novolac Epoxy)

  • 김윤진;안병길;김우년;서광석;김환건;윤초규
    • 폴리머
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    • 제26권1호
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    • pp.88-97
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    • 2002
  • ortho-cresol novolac형 에폭시/페놀 경화제/triphenylphosphine 수지 시스템의 화학 레올로지 특성에 미치는 아민 실록산 개질제의 영향을 검토하였다. DSC측정으로부터 아민 개질제에 의해 경화 속도와 전환량이 증가하였으며 유리전이온도의 증가도 관찰할 수 있었다. 또한, 저장 탄성률과 손실 탄성률의 교차점으로부터 구한 겔화 시간 및 임계 전환량의 감소를 확인할 수 있었다. 이것으로부터 등온 경화반응이 빠르게 진행됨으로써 점도가 상승하는 것을 알 수 있었다. 전환량의 함수로 얻어진 유리전이온도와 측정된 점도로부터 modified WLF 방정식에서의 $C_1$$C_2$를 온도 함수로써 나타낼 수 있었으며, 유리전이온도와 $C_1$$C_2$를 modified WLF 방정식에 적용함으로써 등온 경화반응에 따른 점도변화를 정확히 예측할 수 있었다.

메톡시 폴리(에틸렌 글리콜)-폴리($\varepsilon$-카프로락톤) 공중합체의 온도감응성 솔-젤 전이 거동 (Thermosensitive Sol-gel Phase Transition Behavior of Methoxy poly(ethylene glycol)-b-poly($\varepsilon$-caprolactone) Diblock Copolymers)

  • 서광수;박종수;김문석;조선행;이해방;강길선
    • 폴리머
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    • 제28권4호
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    • pp.344-351
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    • 2004
  • 온도에 반응하는 고분자로서 폴리(에틸렌 글리콜)을 기본으로 다이블록 및 트리블록 폴리에스테르 공중합체들은 비독성과 생체적합성 그러고 생분해성 특징 때문에 주사제형의 약물전달체로서 많은 응용이 이루어지고 있다. 본 연구에서는 다이블록 공중합체를 이용한 새로운 솔-젤 전이 현상을 갖는 고분자를 준비하고자, 평균분자량 750g/mole의 메톡시 폴리(에틸렌 글리콜)과 카프로락톤을 실온에서 HCI $.$ Et$_2$O 존재 하에서 개환중합을 실시하였다. 합성된 고분자는 시차주사열량계와 X-선 회절기를 이용하여 특성을 분석하였고, 수용액상에서의 고분자 용액은 실온에서 신체온도로 온도를 상승시키면 졸에서 겔 상으로의 상변화를 보였다. 신체온도 부근에서의 겔 형성을 확인하기 위하여 20 W% 졸 상태의 고분자용액을 쥐의 피하에 주입한 결과 분산 없이 겔이 잘 형성되었고 2개월 간 겔이 유지됨을 확인하였다. 이러한 연구 결과로, 새로운 솔-젤 상전이 현상을 보이는 다이블록 공중합체를 합성하였고, 주사형 이식 재료로의 가능성을 확인하였다.

Thermodynamic Analysis of the Low- to Physiological-Temperature Nondenaturational Conformational Change of Bovine Carbonic Anhydrase

  • Hollowell, Heather N.;Younvanich, Saronya S.;McNevin, Stacey L.;Britt, B. Mark
    • BMB Reports
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    • 제40권2호
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    • pp.205-211
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    • 2007
  • The stability curve - a plot of the Gibbs free energy of unfolding versus temperature - is calculated for bovine erythrocyte carbonic anhydrase in 150 mM sodium phosphate (pH = 7.0) from a combination of reversible differential scanning calorimetry measurements and isothermal guanidine hydrochloride titrations. The enzyme possesses two stable folded conformers with the conformational transition occurring at ~30$^{\circ}C$. The methodology yields a stability curve for the complete unfolding of the enzyme below this temperature but only the partial unfolding, to the molten globule state, above it. The transition state thermodynamics for the low- to physiological-temperature conformational change are calculated from slow-scan-rate differential scanning calorimetry measurements where it is found that the free energy barrier for the conversion is 90 kJ/mole and the transition state possesses a substantial unfolding quality. The data therefore suggest that the x-ray structure may differ considerably from the physiological structure and that the two conformers are not readily interconverted.

분자 동역학 계산을 통한 결정질 실리콘 태양전지 기판에 콜드 스프레이 전극 형성 시 발생되는 비정질 구리상에 대한 용융 온도 변화 연구 (Melting Point of Amorphous Copper Phase on Crystalline Silicon Solar Cells During Cold Spray using Molecular Dynamics Calculations)

  • 김수민;강병준;정수정;강윤묵;이해석;김동환
    • Current Photovoltaic Research
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    • 제3권2호
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    • pp.61-64
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    • 2015
  • In solar industry, numerous researchers reported about cold spray method among various electrode formation technic, but there are no known a bonding mechanism of metal powder. In this study, a cross-section of copper electrode formed by cold spray method was observed and heterogeneous phase between silicon substrate and copper electrode was analyzed using morphology observation technic. SEM and TEM analysis were performed to analyze a crystallinity and distribution shape of heterogeneous copper phase. Molecular dynamics simulation was performed to calculate glass transition temperature of copper metal. In the result, amorphous copper phase was observed near interface between silicon substrate and metal electrode. The results of the molecular dynamics simulation show that an amorphous copper phase could be formed at a temperature below the melting point of copper because cold spraying resulted in a lower glass transition temperature.

$0.6Pb(Ni_{1/3}Nb_{2/3})O_3-0.31PbTiO_3-0.09PbZrO_3$ 완화형 강유전체의 전계 유기 상전이 현상 (Field Induced Phase Transition in $0.6Pb(Ni_{1/3}Nb_{2/3})O_3-0.31PbTiO_3-0.09PbZrO_3$ Relaxor Ferroelectrics)

  • 윤만순;장현명;정회승;최병철
    • 한국세라믹학회지
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    • 제34권6호
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    • pp.620-628
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    • 1997
  • The possibility of the existence of a field-induced micro-macrodomain switching was proposed and examined using 9 mol % PbZrO3-doped 0.6Pb(Ni1/3Nb2/3)O3-PbTiO3 (PNN-PT) systems having rhombohedral symmetry at room temperature. the thermally depoled (freshly prepard) specimens prepared from the rhombohedral side of the system exhibited a relaxor behavior for the whole range of temperature examined (for T

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Magnetic Properties and Crystalline Transition for the NiCr1.7Fe0.3O4

  • Park, Seung-Iel;Choi, Kang-Ryong;Kouh, Tae-Joon;Kim, Chul-Sung
    • Journal of Magnetics
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    • 제12권4호
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    • pp.137-140
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    • 2007
  • We have studied the temperature dependent magnetic properties and crystalline phase transitionn in small amount Fe doped nickel chromite. The Crystalline structure of $NiCr_{1.7}Fe_{0.3}O_4$ is spinel cubic (Fd-3m) structure with a lattice constant $a_0=8.317\AA$ at room temperature. The magnetic $N\acute{e}el$ temperature $(T_N)$ of the Fe doped nickel chromite sample is determined to be 250 K. The $M\ddot{o}ssbauer$ spectra exhibit that there are two magnetic phases with the two different sites for the $Cr^{3+}$ ions. The spectrum at 4.2 K is fitted to two magnetic components of the magnetic hyperfine fields $H_{hf}=496$ and 485 kOe. From the spectrum at 295 K, the electric quadrupole splittings are observed with large values of 0.49 and 0.50 mm/s, respectively. The values of the isomer shifts at all temperature ranges show that the Fe ions are ferric states. We are suggested that the dynamic Jahn-Teller distortion and anisotropic magnetic relaxation effects due to the crystalline phase transition.

Effects of Cd substitution on the superconducting properties of (Pb0.5Cu0.5-xCdx)Sr2(Ca0.7Y0.3)Cu2Oz

  • Lee, Ho Keun;Kim, Jin
    • 한국초전도ㆍ저온공학회논문지
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    • 제20권2호
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    • pp.24-28
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    • 2018
  • To understand the effects of Cd substitution for Cu, $(Pb_{0.5}Cu_{0.5-x}Cd_x)Sr_2(Ca_{0.7}Y_{0.3})Cu_2O_z$ (x = 0 ~ 0.5) compounds were synthesized and the structural and superconducting properties of the compounds were characterized. Resistivity data revealed that superconducting transition temperature rises initially up to x = 0.25 and then decreases as the Cd doping content increases. Room-temperature thermoelectric power decreases at first up to x = 0.25 and then increases with higher Cd doping content, indicating that the change in $T_c$ is mainly caused by the change in the hole concentration on the superconducting planes by the Cd doping. The non-monotonic dependence of the lattice parameters and the transition temperature with Cd doping content is discussed in connection with the possible formation of $Pb^{+2}$ ions and the removal of excess oxygen caused by Cd substitution in the charge reservoir layer. A correlation between transition temperature and c/a lattice parameter ratio was observed for the $(Pb_{0.5}Cu_{0.5-x}Cd_x)Sr_2(Ca_{0.7}Y_{0.3})Cu_2O_z$ system.