• 제목/요약/키워드: molecular relaxation behaviors

검색결과 14건 처리시간 0.026초

A Comparative Study on the Dielectric and Dynamic Mechanical Relaxation Behavior of the Regenerated Silk Fibroin Films

  • Um, In-Chul;Kim, Tae-Hee;Kweon, Hae-Yong;Ki, Chang-Seok;Park, Young-Hwan
    • Macromolecular Research
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    • 제17권10호
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    • pp.785-790
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    • 2009
  • In this paper, the relaxation behavior of the regenerated silk fibroin (SF) films was investigated using dielectric thermal analysis (DETA), and compared with the dynamic mechanical behavior obtained from dynamic mechanical thermal analysis (DMTA), in order to gain a better understanding of the characteristics of dielectric behavior of SF film and identify the differences between the two analyses. Compared to DMTA, DETA exhibited a higher sensitivity on the molecular relaxation behaviors at low temperature ranges that showed a high $\gamma$-relaxation peak intensity without noise. However, it was not effective to examine the relaxation behaviors at high temperatures such as $\alpha-$ and ${\alpha}_c$-relaxations that showed a shoulder peak shape. On the contrary, DMTA provided more information regarding the relaxation behaviors at high temperatures, by exhibiting the changes in width, intensity and temperature shift of the $\alpha$-relaxation peak according to various crystallinities. Conclusively, DETA and DMTA can be utilized in a complementary manner to study the relaxation behavior of SF over a wide temperature range, due to the different sensitivity of each technique at different temperatures.

An NMR Study on Internal Rotation of $CH_3$ Group in 1,1,1-Trichloroethane

  • Hyung Namgoong;Kim, Joa-Jin;Lee, Jo-Woong
    • 한국자기공명학회논문지
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    • 제4권1호
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    • pp.29-40
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    • 2000
  • Coupled carbon-13 relaxation study of 1,1,1-trichloroethane dissolved in DMSO has been performed to gain some crucial insight into the dynamics of methyl group in this compound. For this purpose the relaxation behaviors of several observable magnetization modes for CH3 spin system generated by various perturbing pulse sequences have been carefully investigated and various dipolar spectral densities were estimated by nonlinear numerical fittings of the observed data with the relaxation curves, which were then employed to determine the three principal values for the diffusion tensor for end-over-end molecular rotation as well as internal rotational parameters of methyl group. In this process we could uniquely determine two correlation times $\tau$int(1) and $\tau$int(2) which give valuable information on internal rotor dynamics and thus obtained data were interpreted on the basis of various proposed models for internal rotation. compound undergoes three-fold jumps at 25$^{\circ}$. The fact that the ratio $\tau$int(1) / $\tau$int(2) is close to 1.0 may be interpreted as indicating that methyl group in this C.

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NMR을 이용한 구조 및 입도 차이에 따른 분말 포도당의 molecular relaxation behavior의 관찰 (Observation of Molecular Relaxation Behavior of Glucose Powders with Different Structures and Particle Sizes Using Low Field Nuclear Magnetic Resonance (NMR))

  • 정명수
    • 한국식품과학회지
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    • 제34권6호
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    • pp.1140-1144
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    • 2002
  • 제조방법이 서로 다른 3가지 종류의 분말포도당을 표준체를 사용하여 입자크기별로 분류하여 각 시료에 대한 온도 변화에 따른 relaxation behavior, 즉 molecular mobility의 변화를 관찰하기 위하여 low resolution pulsed NMR로 각 온도에서 spin-spin relaxation time constant$(T_2)$을 측정하였다. 분말포도당 종류별로 $T_2-$온도 곡선을 작성하여 입도의 변화에 따른 각 시료의 glass transition 특성을 비교, 분석하였다. 또한 주사전자현미경으로 각 시료의 미세구조를 관찰함으로써 구조적 차이가 제조방법 및 입도의 변화에 따른 분말포도당의 relaxation behavior의 변화에 어떤 영향을 미치는지 조사하였다. 무수결정포도당은 본 연구에서의 측정 온도범위에서 입도에 관계없이 molecular mobility에 대한 측정값인 $T_2$의 변화가 거의 없는 것으로 나타나 온도변화에 매우 안정한 결정구조를 가진다는 사실을 확인할 수 있었다. 반면에 함수결정포도당은 결정구조를 가지지만 화학구조상 물분자를 함유하기 때문에 어느 온도$(65{\sim}70^{\circ}C$ 부근) 이상이 되면 결정구조가 깨어지면서 급격하게 caking이 시작되는 경향을 보여주었고, 무정형 구조를 가지는 정제포도당은 구조적 특성상 함수결정포도당보다 낮은 온도$40^{\circ}C$ 부근)에서부터 molecular mobility의 변화가 관찰되는 caking에 매우 민감한 물질임을 알 수 있었다. 입자크기의 차이는 제조방법의 차이에 비해 분말포도당의 molecular relaxation behavior에 그다지 큰 영향을 미치지는 않지만 입도가 커질수록 입자간의 접촉표면적이 줄어들어 caking에 대한 안정성이 다소 향상될 수 있음을 알 수 있었다..92에서 총 3개의 peak가 검출되었고, 이때의 검출파장은 약 $380{\sim}490\;nm$ 사이의 파장으로서 gradient mode로 한 이동상의 조건과 일치하였다. 또한 RT값이 3.27의 peak에서 가장 많은 색소가 검출되었다. 그러나 gradient mode로 한 이동상의 조건에서 7개의 peak가 검출되었고 isocratic mode로 한 이동상의 조건에서는 3개의 peak가 검출된 것으로 보아 정성적으로는 gradient mode로 한 이동상의 조건이 더 적합한 것으로 사료된다. 또한, PDA-HPLC를 이용한 참조기와 수조기의 색소성분을 비교한 결과, 수조기와 참조기에서 검출되는 peak중 각각의 3개의 peak는 유사한 RT값을 보였으나, 참조기 및 수조기의 각각 1개의 peak는 서로 다른 RT값을 보였으며 참조기 성분의 peak중 RT = 31.02는 수조기 성분에서는 발견되지 않아, 이 성분은 참조기 성분과 연관성이 클 것으로 사료된다.ne 함량은 일반꽃포류와 구운꽃포류에서 각각 $4{\sim}43\;mg$$18{\sim}74\;mg$이었다. t-검정 결과 일반꽃포류와 구운꽃포류 함량간에는 수분, glutamic acid, creatinine 등에서 유의차가 있었으나, 그 이외에 대부분의 성분간에는 유의차가 인정되지 않는 것으로 나타났다.갈근 추출액을 급여한 흰쥐군은 50 ppm의 카드뮴액만을 급여한 흰쥐군과 비교하여 신장내 카드뮴 함량과 GPT 및 LDH 활성도, renin 활성도가 유의적으로 감소되었고 신장 무게는 정상 흰쥐와 같은 수준으로 회복하였고 GOT 활성도 역시 정상 흰쥐와 같은 수준으로 감소를 보여 갈근이 카드뮴 중독 흰쥐에서 신장 등의 장기내 카드뮴 축적의 감소로 카드뮴 중독 작용의 경감 효과를 갖는 것으로 나타났다.실이나 최근 세계화는 곧 우리의 전통문화를 알리는 것이라는 목소리에 주부들이 전통음식에 대한

Debye Screening Effect on Scaling Behavior of Longest Relaxation Time of Biological Polyelectrolyte Chain

  • Lee, Jeong Yong;Sung, Jung Mun;Yoon, Kyu;Chun, Myung-Suk;Jung, Hyun Wook
    • Bulletin of the Korean Chemical Society
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    • 제34권12호
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    • pp.3703-3708
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    • 2013
  • The scaling relationship of the longest relaxation time of a single chain of semiflexible biological polyelectrolyte has been investigated by performing well-established coarse-grained Brownian dynamics simulations. Two kinds of longest relaxation times were estimated from time-sequences of chain trajectories, and their behaviors were interpreted by applying the scaling law for different molecular weights of polyelectrolyte and Debye lengths. The scaling exponents for longest stress relaxation and rotational relaxation are found in the ranges of 1.67-1.79 and 1.65-1.81, respectively, depending on the physicochemical interaction of electrostatic Debye screening. The scaling exponent increases with decreasing screening effect, which is a special feature of polyelectrolytes differing from neutral polymers. It revealed that the weak screening allows a polyelectrolyte chain to follow the behavior in good solvent due to the strong electrostatic repulsion between beads.

Molecular Dynamics in Paraelectric Phase of KH2PO4 Crystals Studied by Single Crystal NMR and MAS NMR

  • Paik, Younkee;Chang, Celesta L.
    • 한국자기공명학회논문지
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    • 제17권1호
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    • pp.19-23
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    • 2013
  • The temperature dependences of the NMR spectrum and the spin-lattice relaxation times in $KH_2PO_4$ were investigated via single-crystal NMR and MAS NMR. The stretched-exponential relaxation that occurred because of the distribution of correlation times was indicative of the degree of the distribution of the double-well potential on the hydrogen bond. The behaviors responsible for the strong temperature dependences of the $^1H$ and $^{31}P$ spin-lattice relaxation times in the rotating frame $T_{1{\rho}}$ in $KH_2PO_4$ are likely related to the reorientational motion of the hydrogen-bond geometry and the $PO_4$ tetrahedral distortion.

Atomistic Investigation of Lithiation Behaviors in Silicon Nanowires: Reactive Molecular Dynamics Simulation

  • 정현;주재용;조준형;이광렬;한상수
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.160.2-160.2
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    • 2014
  • Recently silicon has attracted intense interest as a promising anode material of lithium-ion batteries due to its extremely high capacity of 4200 mA/g (for Li4.2Si) that is much higher than 372 mAh/g (for LiC6) of graphite. However, it seriously suffers from large volume change (even up to 300%) of the electrode upon lithiation, leading to its pulverization or mechanical failure during lithiation/delithiation processes and the rapid capacity fading. To overcome this problem, Si nanowires have been considered. Use of such Si nanowires provides their facile relaxation during lithiation/delithiation without mechanical breaking. To design better Si electrodes, a study to unveil atomic-scale mechanisms involving the volume expansion and the phase transformation upon lithiation is critical. In order to investigate the lithiation mechanism in Si nanowires, we have developed a reactive force field (ReaxFF) for Si-Li systems based on density functional theory calculations. The ReaxFF method provides a highly transferable simulation method for atomistic scale simulation on chemical reactions at the nanosecond and nanometer scale. Molecular dynamics (MD) simulations with the ReaxFF reproduces well experimental anisotropic volume expansion of Si nanowires during lithiation and diffusion behaviors of lithium atoms, indicating that it would be definitely helpful to investigate lithiation mechanism of Si electrodes and then design new Si electrodes.

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화학적방법과 방사선으로 가교된 저밀도 폴리에티렌의 열적 기계적 및 유전적 특성의 비교연구 (A comparative study on thermal, mechanical and dielectric characteristics of low density polyethylene crosslinked by radiation and chemical methodes)

  • 김봉흡;강도열;김정수
    • 전기의세계
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    • 제25권2호
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    • pp.100-106
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    • 1976
  • A comparative study on thermal, static mechanical and dielectric characteristics were made over a temperature range of ca.20.deg.C to 320.deg.C and a frequency range of KHZ to MHZ band on low density polyethylene specimens crosslinked, respectively, by radiation and chemical method. The thermal property of both specimens shows that softening point appears to unchange by crosslinking, however, melting and liquidizing temperatures attain rapid increase at the imitiation of crosslinking. Mechanical properties show little difference to both specimens crosslinked by different method, further the behaviors were discussed in connection with the relaxation of molecular segments in amorphous phase. Dose dependent dielectric characteristics observed at ambient temperature under several fixed frequencies exhibit extremities at ca. 20 Mrad and the behaviors also were interpreted qualitatively by taking into consideration of dipole concentration change in amorphous phase together with the role of specimen geometry to the depth of oxidative layer. Observing frequency dependent dielectric characteristics, it was also proved that ionic conduction loss is appreciably greater in the specimen prepared by chemical method than that by radiation.

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Macroscopic Nonlinear Optical Properties of Tricyanopyrrolidene Chromophore Containing Amorphous Polycarbonate: Effect of Molecular Lateral Moiety in the Conjugative Structure

  • Cho, Min-Ju;Lee, Sang-Kyu;Jin, Jung-Il;Choi, Dong-Hoon
    • Macromolecular Research
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    • 제14권6호
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    • pp.603-609
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    • 2006
  • Tricyanopyrrolidene chromophores were prepared in order to compare their macroscopic nonlinear optical (NLO) properties with a conjugated structure through the long molecular axis. A thiophene or phenyl ring was tethered to an ethylenic bond; it may act as a lateral moiety to disrupt the planarity of a chromophore and lessen the electrostatic interaction. Thin film composites of these chromophores dissolved in amorphous polycarbonate (APC) were fabricated. Real time pole and probe method was employed to investigate the change of electro-optic (EO) signal during poling. The EO properties and their relaxation behaviors of the guest-host systems containing newly synthesized chromophores were investigated in detail.

전도성 블랜드의 AC와 DC에 대한 전기적 특성 (Electrical Properties of Conducting Blends for AC & DC)

  • 이태희;김종은;김윤상;서광석
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 2003년도 하계학술대회 논문집 C
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    • pp.1481-1483
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    • 2003
  • Molecular motions of polyaniline conducting blends were prepared. Surface resistance of its blends was investigated by a Surface Resistance Meter. DC electrical properties were investigated by Thermally Stimulated Currents(TSC) method and AC dielectric properties were investigated by Dielectric Thermal Analyzer (DETA) in the temperature range from $-50^{\circ}C$ to $120^{\circ}C$ at 1E0 Hz $^{\sim}$ 1E7 Hz for a comparative study of molecular relaxation. Using Scanning Electron Microscopy(SEM), relations of both microstructure and conduction behaviors was observed.

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Polystyrene 의 Crazing 거동 특성 (Characterization of Crazing Behavior in Polystyrene)

  • 전대진;김석호;김완영
    • Elastomers and Composites
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    • 제39권2호
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    • pp.142-152
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    • 2004
  • 서로 다른 두 종류의 폴리스타일렌(PS)을 injection 기계를 이용하여 인장 시편을 만들고, 온도와 인장 속도에 따른 crazing 거동 특성을 연구하기 위하여 다양한 시험을 하였다. 기계적물성은 craze 형성뿐만 아니라 다양한 시험 변수에 의해 영향을 받으며, brittle-ductile transition 이하의 온도에서의 인장 응력 및 최대 신율은 분자량, 인장 속도의 증가 및 온도의 감소에 따라 증가하며 craze의 수와 평균 길이 또한 증가한다. Crazing 응력도 동일한 형태로 증가함을 보여준다. 그러나, 이러한 특성은 인장 강도에 미치는 영향과 비교했을 때 보다 의존도는 상대적으로 낮다. Craze 형성과 성장에 필요한 시간으로 설명할 수 있는 crazing 응력과 인장 응력간의 차이는 분자량, 인장 속도에 따라 비례적으로 그리고, 온도가 감소함에 따라 증가함을 보여 준다. Crazing 은 ${\beta}$-relaxation 온도 근처에서 활성화된다. 이 온도에서는 crazing 응력이 급격하게 감소함을 나타낸다. 인장 평가시 craze 밀도가 적용된 응력에 따라 기하 급수적으로 증가되는데, 개시 단계에서는 craze는 서서히 형성되며, 일단 일정한 수만큼의 craze가 형성이 되면 craze 밀도가 급속도로 증가했다.