• Title/Summary/Keyword: Activation energies

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Synthesis of Furfural Derivatives (II). Oxime Formation of 2-Furfural and Some 5-Substituted Furfurals (Furfural 유도체 합성에 관한 연구 (제2보). 2-Furfural 및 5-치환 Furfural의 Oxime 생성반응)

  • Yong In Kim;Joo Hwan Sohn
    • Journal of the Korean Chemical Society
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    • v.21 no.2
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    • pp.139-148
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    • 1977
  • The rate of oxime formation of 2-furfural and 5-substituted-2-furfurals such as 5-methyl-2-furfural, 5-isopropyl-2-furfural, 5-tert-butyl-2-furfural, 5-isoamyl-2-furfural and 5-nitro-2-furfural have been measured at 15∼$45^{\circ}C$ in aqueous solution buffered at pH 7. Oxime formation for all the compounds investigated is second-order reaction and their activation energies observed are 5.50, 7.22, 7.03, 7.49, 7.78 and 4.97 kcal/mole, respectively. Hammett equation is obtained for 5-alkyl-2-furfurals and the reaction constants (${\rho}$) calculated at 15, 25, 35 and $45^{\circ}C$ are 2.010, 1.756, 1.541, and 1.311 respectively.

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PMR in Organic Plastic Crystals (I). Pivalic Acid (유기플라스틱 결정체의 PMR 연구 (제 1 보). 피발산)

  • Stefan J. K. Choi;John D. Graham
    • Journal of the Korean Chemical Society
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    • v.19 no.3
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    • pp.149-155
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    • 1975
  • Pivalic acid, which has a globular shape and is a plastic crystal, has been examined by means of temperature-dependent with-line proton magnetic resonance spectroscopy. Results of temperature-dependent line width, second moment, and spin-lattice relaxation time studies of pivalic acid were interpreted in terms of dynamic behavior and hydrogen bonding. The dynamic behavior consists of superimposed reorientation of the methyl groups about their three-fold axes$(C_3) and of the molecule about the central C-C bond(C_3'),$ general molecular reorientation about the center of gravity, and molecular self-diffusion. Activation energies for the motional processes have been obtained from line width measurements using the modified Bloembergen, Purcell, and Pound theory and from spin-lattice relaxation time measurements. The results were compared with the Pople-Karasz theory of fusion and the agreement was found to be poor. The discrepancy was interpreted in terms of hydrogen bonding in this molecule.

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Syntheses and Electrical Properties of AgI-based Fast Ionic Conductor (AgI-based Fast Ionic Conductor의 합성 및 전기적 성질)

  • Park, Seong Ho;An, Gyeong Su;Kim, Gyu Hong;Choe, Jae Si
    • Journal of the Korean Chemical Society
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    • v.34 no.6
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    • pp.527-533
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    • 1990
  • The AgI systems containing various mol% of AgBr and CuI were synthesized. X-ray analyses revealed that all synthesized systems had face centered cubic structures. Using impedance analyzer, electrical conductivity measurements of these systems were carried out at temperatures from 20 to 200$^{\circ}C$. From this measurement, it was found that the activation energies of these systems were in the range 0.6∼0.7 eV and the system containing 5 mol% AgBr showed the highest conductivity and the smallest activity energy.

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Molecular Dynamics Simulations of Nanomemory Element Based on Boron Nitride Nanotube-to-peapod Transition

  • Hwang Ho Jung;Kang Jeong Won;Byun Ki Ryang
    • Transactions on Electrical and Electronic Materials
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    • v.5 no.6
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    • pp.227-232
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    • 2004
  • We investigated a nonvolatile nanomemory element based on boron nitride nanopeapods using molecular dynamics simulations. The studied system was composed of two boron-nitride nanotubes filled Cu electrodes and fully ionized endo-fullerenes. The two boron-nitride nanotubes were placed face to face and the endo-fullerenes came and went between the two boron-nitride nanotubes under alternatively applied force fields. Since the endo-fullerenes encapsulated in the boron-nitride nanotubes hardly escape from the boron-nitride nanotubes, the studied system can be considered to be a nonvolatile memory device. The minimum potential energies of the memory element were found near the fullerenes attached copper electrodes and the activation energy barrier was $3{\cdot}579 eV$. Several switching processes were investigated for external force fields using molecular dynamics simulations. The bit flips were achieved from the external force field of above $3.579 eV/{\AA}$.

Cure Behavior of a DGEBF Epoxy using Asymmetric Cycloaliphatic Amine Curing Agent (비대칭 고리형 지방족 아민 경화제를 이용한 DGEBF 계열 에폭시의 경화 거동)

  • Kim, Hongkyeong
    • Korean Chemical Engineering Research
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    • v.46 no.1
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    • pp.200-204
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    • 2008
  • The curing kinetics of diglycidyl ether of bisphenol F (DGEBF) with an asymmetric cycloaliphatic amine curing agent were examined by thermal analysis in both isothermal and dynamic curing conditions. From the residual curing of the samples partially cured in isothermal condition and from the dynamic curing with various heating rates, it was found that there exist two kinds of reactions such as at low temperature and at high temperature regions. It was thus also found that the cure parameters obtained from the isothermal curing kinetic model hardly estimate experimental results for a degree of cure larger than 0.6. The activation energies and frequency factors of these two kinds of reactions were obtained from the dynamic curing experiments with various heating rates. From the curing analysis, it was verified that the total cure kinetics for low degrees of cure is dominated by the cure reaction in the low temperature region.

A Study on the Removal Reaction Characteristics of Sulfur Dioxide (대기오염 물질인 $SO_2$ 제거반응 특성 연구)

  • 강순국;정명규
    • Journal of Environmental Science International
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    • v.4 no.1
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    • pp.41-52
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    • 1995
  • The effects of reaction temperature, SO2 and CO2 concentration in an air gas stream, particle sizes of limestone on the reactivity and capacity of SO2 removal have been determined in a thermogravimetric analyser(TGA). The apparent reaction order of sulfation reaction of pre-calcined lime(CaO) with respect to SO2 is found to be close to unity. The apparent activation energies are found to be 17,000 kcal/kmol for sulfation of pre-calcined lime and 19,500 kcal/kmol for direct sulfation of limestone(CaCO3). The initial sulfation reaction rate of pre-calcined lime increases with increasing temperature, whereas the sulfur capture capacity exhibits a maximum value at 90$0^{\circ}C$. In direct sulfation of limestone, sulfation reactivity and sulfur capature capacity of sorbent increase with increasing temperature and decreasing CO2 concentration in a gas bulk stream. The main pare of pre-calcined lime is shifted to the larger pore sizes and pore volume decreases with increasing sulfation time and temperature. The surface area of lime decreases with increasing calcination temperature under an air atmosphere, whereas is yearly constant under a CO2(5, 10%) atmosphere in a gas stream.

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Anneal Temperature Effects on Hydrogenated Thin Film Silicon for TFT Applications

  • Ahn, Byeong-Jae;Kim, Do-Young;Yoo, Jin-Su;Junsin Yi
    • Transactions on Electrical and Electronic Materials
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    • v.1 no.2
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    • pp.7-11
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    • 2000
  • a-Si:H and poly-Si TFT(thin film transistor) characteristics were investigated using an inverted staggered type TFT. The TFT an as-grown a-Si:H exhibited a low field effect mobility, transconductance, and high gate threshold voltage. The poly-Si films were achieved by using an isothermal and RTA treatment for glow discharge deposited a-Si:H films. The a-Si:H films were cystallized at the various temperature from 600$^{\circ}C$ to 1000$^{\circ}C$. As anneal temperature was elevated, the TFT exhibited increased g$\sub$m/ and reduced V$\sub$ds/. V$\sub$T/. The poly-Si grain boundary passivation with grain boundary trap types and activation energies as a function of anneal temperature. The poly-si TFT showed an improved I$\sub$nm//I$\sub$off/ ratio of 10$\^$6/, reduced gate threshold voltage, and increased field effect mobility by three orders.

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Numerical Analysis about the Time Characteristics of Space Charge Distribution and Measured Current in LDPE (LDPE에서 공간전하분포와 측정전류의 시간특성에 대한 수치해석)

  • Hwang, Bo-Seung;Park, Dae-Hui;Nam, Seok-Hyeon;Gwon, Yun-Hyeok;Han, Min-Gu
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.49 no.9
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    • pp.502-509
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    • 2000
  • In this paper in order to evaluat quantitavely the formation mechanism of space charge and its effects on the conduction characteristics in LDPE we have carried out the numerical analysis on the basis of experimental results of space charge distribution cathode field and current with time which had been simultaneously measured at applied field of 50kV/mm and room temperature. As the models for numerical analysis we employ the Richarson-Schottky theory for charge injection from electrode into LDPE and the band-tail conduction at crystalline regions and the hopping conduction by traps which mainly exist at the interface regions of crystalline-amorphous region for charge transport in LDPE. Futhermore in order to investigate the influence of physical parameters on the time characteristcs of space charge distribution and measured current we have changed the values of trap density activation energies for charge injection and transport and have analyzed their effects.

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Study on effect of solution temperature on corrosion fatigue of high strength steel (고장력강의 부식피로에 미치는 용액온도의 영향에 관한 연구)

  • 유헌일
    • Journal of the korean Society of Automotive Engineers
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    • v.8 no.1
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    • pp.40-51
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    • 1986
  • A study has been made of the corrosion fatigue of high strength low alloy steel in 3.5% NaCl solution under tension stress for solution temperature being 25.deg. C, 55.deg. C and 85 .deg. C. The main results obtained are as follows; 1) The corrosion fatigue crack growth rate curve could be divided into the First Region, the Second Region and the Third Region. 2) The corrosion fatigue crack growth rates in the First Region and the Second Region were Arrhenius temperature-dependent in this test range. The apparent activation energies for the corrosion fatigue cack growth rate were found to be 2000cal/mol in the First Region and 3700 cal/mol in the Second Region. 3) Hematite (Fe$_{2}$O$_{3}$) as the hexahedral crystal and magnetite (Fe$_{3}$O$_{4}$) as the octahedral crystal were observed in the corrosion products on the corrosion fatigue fracture surface at 85.deg. C and the anode fusion seem to be generated in the crack tip region at high temperature. 4) The complex environment effect ratio which was defined by the ratio of fatigue crack growth rate in corrosion environment to that in air might be considered not only a criterion estimating the effect of environment quantitatively but also an important parameter in the selection of the design stress for the fail safe design. The complex environment effect was not greater than ten in this test.

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Bottleneck Behavior of $^1H$ NMR Spin-lattice Relaxation in Ammonium Sulfate

  • Hong, Kwan-Soo;Yu, In-Suk
    • Journal of the Korean Magnetic Resonance Society
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    • v.6 no.2
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    • pp.132-141
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    • 2002
  • $^1H$ nuclear magnetic resonance (NMR) relaxations have been investigated in ammonium sulfate $((NH_4)_2SO_4)$ power at temperatures ranging form 102 K to 440 K. There is a bottleneck in the spin-lattice relaxation between the nuclear spin system and the hindered rotation of ammonium ions, which is certified by measuring the relaxation according to the initial condition of the spin system. For temperatures below 318 K the $^1H$ spin-lattice relaxations have double-exponential behaviors with the exponent, n, having a value 2>n>1 initially and n=l after a long time. Above 318 K not only is the relaxation exponential initially with exponent n=1, but it is a single-exponential over the entire time, resulting in one $T_1$ value. The two types of $NH_4^+$ ions have different activation energies for hindered rotation, $E_a^1=0.27{\pm}0.02eV$ and $E_a^11=0.12{\pm}0.0eV$, in the ferroelectric phase.

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