• 제목/요약/키워드: Arrhenius theory

검색결과 16건 처리시간 0.021초

W(110)면에서의 산소의 확산 : 실험과 이론의 비교 (Oxygen diffusion on W(110) : Comparison of experiment and theory)

  • 남창우;홍진표;김채옥
    • 한국진공학회지
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    • 제8권3A호
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    • pp.181-186
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    • 1999
  • The diffusion of oxygen atoms on tungsten (110) surface is studied by comparison of experiment results and recent calculations. It has been suggested that the thermodynamic factor which is inversely proportional to be compressibility has strong temperature dependence which may cause non-Arrhenius behavior of diffusion coefficient. Recent experiments, however, indicate effectively no temperature dependence of this factor and support the view that non-Arrhenius behavior originates from the dynamic factor rather than the thermodynamic factor. Discrepancies in coverage dependence of physical quantities between theory and experiment are discussed.

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Arrhenius Parameters for the Thermal Decomposition of Trichloroethylene

  • Kim, Hack-Jin;Choo, Kwang-Yul
    • Bulletin of the Korean Chemical Society
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    • 제4권5호
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    • pp.203-208
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    • 1983
  • A thermal decomposition of trichloroethylene was studied in the temperature range of 440-$460^{\circ}C$ by using the conventional static system. In order to investigate the pressure dependence of reaction and to eliminate free radical process, propylene was used as the bath gas. The pressure range investigated was 10∼900 Torr. The decomposition was the unimolecular dehydrochlorination and the reaction products were hydrogen chloride and dichloroacetylene. Results were interpreted in terms of the Ric-Ramsperger-Kassel-Marcus (RRKM) unimolecular rate theory and the Arrhenius parameters were determined from fall-off behaviors. The Arrhenius parameters are found to be log $A=13.8{\pm}0.2sec^{-1}$ and E = $56.6{\pm}0.7$ kcal/mole, respectively.

The Theoretical Calculations of Kinetic and Thermodynamics Parameters and Anharmonic Correction for the Related Reactions of NO3

  • Yu, Hongjing;Liu, Yancheng;Xia, Wenwen;Wang, Li;Jiang, Meiyi;Hu, Wenye;Yao, Li
    • 대한화학회지
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    • 제65권6호
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    • pp.419-432
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    • 2021
  • According to the transition state (TS) theory, Gaussian software and Yao and Lin (YL) method, the thermodynamics and kinetic data respectively were calculated, and anharmonic effect was considered for related reactions of NO3. The methods of calculating and fitting kinetic and thermodynamics parameters were provided by least square method and related equations in this paper. Notably, the fitted E of Arrhenius equation was close to the calculated barrier of related reaction by QCISD(T) method. Therefore, the kinetic fitting result can well express the physical meaning of E in Arrhenius equation. Besides, the conversion process and the reaction mechanism of NO3 were researched. For NO3, it seemed that its instability results from its easy reaction with other substances rather than the decompose reaction of itself.

고온 피로균열 성장거동에 관한 파괴역학의 응용에 관한 연구 (Fracture Mechanics Applied to Fatigue Crack Growth Behavior at Elevated Temperatures)

  • 서창민;김영호
    • 대한기계학회논문집
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    • 제14권6호
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    • pp.1552-1560
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    • 1990
  • 본 연구에서는 로터강(Cr-Mo-V 강)과 저탄소합금강(A517-F강)의 CT시험편을 대상으로 한 고온피로 시험결과를 토대로 차원해석법을 도입시켜 고온하의 균열성장률 을 유도한 다음 온도(T)와 응력확대계수범위(.DELTA.K,T)인 아레니우스 형태의 식을 유도하 였다.그리고 유도된 균열 성장 법칙을 파리스식과 비교 검토하여 본 연구에서 유도 된 이 균열성장법칙의 타당성을 검토하고자 한다.

Theoretical Studies on Mechanism and Kinetics of the Hydrogen-Abstraction Reaction of CF3CH2CHO with OH Radicals

  • Ci, Cheng-Gang;Yu, Hong-Bo;Wan, Su-Qin;Liu, Jing-Yao;Sun, Chia-Chung
    • Bulletin of the Korean Chemical Society
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    • 제32권4호
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    • pp.1187-1194
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    • 2011
  • The hydrogen abstraction reaction of $CF_3CH_2CHO$ + OH has been studied theoretically by dual-level direct dynamics method. Two stable conformers, trans- and cis-$CF_3CH_2CHO$, have been located, and there are four distinct OH hydrogen-abstraction channels from t-$CF_3CH_2CHO$ and two channels from c-$CF_3CH_2CHO$. The required potential energy surface information for the kinetic calculation was obtained at the MCG3-MPWB//M06-2X/aug-cc-pVDZ level. The rate constants, which were calculated using improved canonical transitionstate theory with small-curvature tunneling correction (ICVT/SCT) were fitted by a four-parameter Arrhenius equation. It is shown that the reaction proceeds predominantly via the H-abstraction from the -CHO group over the temperature range 200-2000 K. The calculated rate constants were in good agreement with the experimental data between 263 and 358 K.

가속 모델에 기초한 열화 데이터의 신뢰성 해석 -가정용 영상 재생기에 사용되는 광센서를 중심으로- (Reliability Analysis of Degradation Data Based on Accelerated Model -With Photointerrupter Used in Home VCR(Video Cassette Recorder)-)

  • 권수호;허양현;임태진
    • 산업공학
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    • 제12권3호
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    • pp.448-457
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    • 1999
  • Accelerated degradation is concerned with models and data analyses for degradation of product performance over time at overstress and design conditions. Although there have been numerous studies with accelerated degradation theory in reliability, very few actually apply to parametric statistical analyses. This paper shows how to analyze degradation data, provides tests for how well the assumptions hold. Reel sensors, a sort of photointerrupters in home VCR, hive been tested, and least-square analyses are used to illustrate our approach. Tests for linearity of the performance-time relationship, dependence of the lognormal distribution, and the standard deviation on time are performed. The mean life of tested sensors is assessed at about 414,000 hours, and the Arrhenius activation energy of this reaction is concluded to be 0.39 eV as results.

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Thermal Unimolecular Decomposition Reactions of Ethyl Bromide at 724.5 - 755.1$^{\circ}$K

  • Tae-Joon Park;K. H. Jung
    • Bulletin of the Korean Chemical Society
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    • 제1권1호
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    • pp.30-35
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    • 1980
  • The thermal decomposition reaction of ethyl bromide was studied in the temperature range of 724.5-$755.1^{\circ}K$. Pressure dependence of the reaction was observed in its fall-off region. A theoretical evaluation of the rate constants was carried out adopting RRKM formulation in the region and was compared with the experimental observation.The validity of theory was also reevaluated by using the observed results. The observed activation energy in this study and Arrhenius A-factor were 51.7 kcal/mole and $10^{12.5}$, respectively. The small A-factror in the study was discussed in terms of the formation of a tight activated complex and the molecular elimination as a prevalent reaction mode.

Nonlocal heat conduction approach in biological tissue generated by laser irradiation

  • Abbas, Ibrahim A.;Abdalla, Aboelnour;Sapoor, Hussien
    • Advances in materials Research
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    • 제11권2호
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    • pp.111-120
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    • 2022
  • A novel nonlocal model with one thermal relaxation time is presented to investigates the thermal damages and the temperature in biological tissues generated by laser irradiations. To obtain these models, we used the theory of the non-local continuum proposed by Eringen. The thermal damages to the tissues are assessed completely by the denatured protein ranges using the formulations of Arrhenius. Numerical results for temperature and the thermal damage are graphically presented. The effects nonlocal parameters and the relaxation time on the distributions of physical fields for biological tissues are shown graphically and discussed.

자동차 전장부품의 초 가속 실뇌성 수명시험 방법에 관한 연구 (The Study on the High Acceleration Life Test Method for the Automotive Electric and Electronic Parts)

  • 이종범;조재립
    • 품질경영학회지
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    • 제28권4호
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    • pp.16-28
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    • 2000
  • Recently days, High Accelerated Life Test of electrical and electronic parts is increasing its importance. This study set the hypothesis to develop the method that was analysis and application of HALT for the automotive electrical and electronic parts, it used Arrhenius's Model and Eyring's Model, and ESS theory. Validity of application is proved by other test data. Especially, this study emphasis on utility of acceleration to temperature, humidity, voltage, mechanical stress and other stress. In this study set the pattem of practical application. Therefore, this study emphasis on the application of the HALT and the use of other parameter by acceleration reliability test data. The result of this study is as follows. 1) There is relationship between molar weight and material constant. 2) Characteristic of material is operating acceleration factor as well as parts failure factors. Of course, according to the characteristic of material, activation energy is often more important than molar weight. But it will be defined by more testing and improvements in practical application.

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고전압 기폭관의 노화 특성 연구 (Study on Aging Characteristics of Exploding Foil Initiator)

  • 김동성;장승교
    • 한국항공우주학회지
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    • 제48권8호
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    • pp.581-588
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    • 2020
  • 고전압 기폭관의 노화 특성에 관하여 연구하였다. 노화 특성 관측을 위해 먼저 고전압 기폭관의 주요 구성품을 분류하고, 고장 메커니즘을 정의하였다. 위력과 감도 측면에서 노화 특성을 정의하였으며, HFC (Heat Flow Calorimetry)를 통해 계산된 활성화 에너지와 아레니우스 이론을 기반으로 가속노화시험 계획을 수립하였다. 노화된 시료를 이용하여 민감도 시험인 Neyer Test와 위력시험인 Dent Test를 통하여 성능 변화를 관측하였다. 민감도 시험을 통해 구한 반폭점에서 노화 경향을 관찰하였으나 관련 규격을 고려하면 충분히 긴 수명을 가지고 있는 것으로 분석되었다.