• Title/Summary/Keyword: Arrhenius theory

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

  • 남창우;홍진표;김채옥
    • Journal of the Korean Vacuum Society
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    • v.8 no.3A
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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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    • v.4 no.5
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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
    • Journal of the Korean Chemical Society
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    • v.65 no.6
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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.

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

  • 서창민;김영호
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.14 no.6
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    • pp.1552-1560
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    • 1990
  • A general form of the mathematical function in the fatigue crack growth rate law for CT specimens was determined by means of the dimensional analysis at elevated temperatures. The experimental results can be rigorously described by the combination of rate theory and fracture mechanics. The rate theory approach extends the scope of fracture mechanics through the consideration of the temperature. The fatigue crack growth rates are represented by the Arrhenius type equation. This equation explains fairly well the experimental data for Cr-Mo-V rotor steel and A517-F steel in the comparatively wide temperature regions as affected with the temperature and the stress intensity factor range interaction.

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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    • v.32 no.4
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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.

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

  • Kwon, Soo-Ho;Huh, Yang-Hyun;Lim, Tae-Jin
    • IE interfaces
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    • v.12 no.3
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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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    • v.1 no.1
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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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    • v.11 no.2
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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.

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

  • Lee, Jong-Beom;Cho, Jai-Rip
    • Journal of Korean Society for Quality Management
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    • v.28 no.4
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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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Study on Aging Characteristics of Exploding Foil Initiator (고전압 기폭관의 노화 특성 연구)

  • Kim, Dong-seong;Jang, Seung-gyo
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.48 no.8
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    • pp.581-588
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    • 2020
  • The aging characteristics of exploding foil initiator (EFI) are studied. In order to observe the aging characteristics, the main components of the exploding foil initiator were classified and the failure mechanism was defined. The aging characteristics were defined in terms of power and sensitivity, and the accelerated aging test plan was established based on the activation energy calculated by HFC (Heat Flow Calorimetry) and Arrhenius theory. The performance variation was observed using the sensitivity test (Neyer test) and power test (Dent test) for the aged samples. The aging characteristic was observed on the mean exploding point of the sensitivity test, but long-enough life span was predicted considering the related specification.