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1.
Two-stage ignition exists in the low-temperature combustion process of n-heptane and the first-stage ignition also shows a negative temperature coefficient(NTC) phenomenon. To study key reactions and understand chemical principles affecting the first-stage ignition of n-heptane, a lumped skeletal mechanism with 62 species is obtained based on the detailed NUIGMech1.0 mechanism using the directed relation graph method assisted by sensitivity analysis and isomer lumping. The lumped mechanism shows good performance on ignition delay time under wide conditions. The study revealed that the temperature after the first-stage ignition is higher and a larger amount of fuel is consumed at lower initial temperatures. The temperature at the first-stage ignition is relatively insensitive to the initial temperature. Further sensitivity analysis and reaction path analysis carried out based on the lumped mechanism show that the decomposition of RO2 to produce alkene and HO2is the most important reaction to inhibit the first-stage ignitions. The chain branching explosion closely related to the first-stage ignition will be terminated when the rate constant for the RO2 decomposition is larger than that of the isomerization of RO2 to produce QOOH. The NTC behavior as well as other characteristics of the first-stage ignition can be rationalized from the competition between these two reactions. 相似文献
2.
We report the results of our investigation of magnetization and heat capacity on a series of compounds CeYxNiGe2 () under the influence of external magnetic field. Our studies of the thermodynamic quantity on these compounds indicate that magnetic frustration persists in Ce0.9Y0.1NiGe2, as also reported for the parent compound CeNiGe2. The weak signature of this frustration is also noted in Ce0.8Y0.2NiGe2, whereas, it is suppressed in Ce0.6Y0.4NiGe2. Heat capacity studies on Ce0.9Y0.1NiGe2 and Ce0.8Y0.2NiGe2 indicate the presence of a new magnetic anomaly at high field which indicates that quantum criticality is absent in these compounds. However, for Ce0.6Y0.4NiGe2 such an anomaly is not noted. For this later compound, the magnetic field (H) and temperature (T) dependence of heat capacity and magnetization obey scaling above critical fields. However, the obtained scaling critical parameter (δ) is 1.6, which is away from mean field value of 3. This deviation suggests the presence of unusual fluctuations and anomalous quantum criticality in these compounds. This unusual fluctuation may arise from disorderness induced by Y-substitution. 相似文献
3.
利用有效场理论研究了双模随机交错晶场中混合自旋 Blume-Capel 模型纳米管系统的重入现象, 发现了系统的重入现象与晶场取值概率、 晶场强度和外壳层与内壳层格点间最近邻交换相互作用的关系. 结果表明: 取值概率、 交换相互作用、 晶场强度和温度等诸多因素相互竞争, 使系统表现出丰富的磁化现象: 正( 负) 晶场较弱时, 系统只发生二级相变; 随着正( 负) 晶场增强, 系统的二级相变消失, 呈现一级相变; 一定条件下, 系统会出现重入现象. 相似文献
4.
《Physics letters. A》2020,384(34):126864
We address the investigation of non trivial properties of the energy current in boundary driven XXZ quantum spin models. In specific, we focus on the occurrence of the one-way street phenomenon in asymmetrical chains, a phenomenon stronger than rectification, which establishes the existence of a unique way for the energy current in the absence of external magnetic field, that is, the magnitude and direction of the energy flow does not change as we invert the baths at the boundaries. For general target polarizations at the boundaries, we show that such a phenomenon holds in the presence of long range interactions, ingredient which increases the flow and the rectification in chains of classical oscillators, and so, of interest in the study of manipulation and control of the energy flow. 相似文献
5.
《印度化学会志》2023,100(2):100913
Owing to contribution of thermo-diffusion phenomenon in various engineering and industrial frame works, scientists have presented some exclusive investigations on this topic. In current research, the thermos-diffusion prospective of second grade material accounted by a moving cylinder have been predicted. The applications of Soret and Dufour effects based on the thermos-diffusion phenomenon is evaluated. The magnetic force and viscous dissipation effects are presented for the current flow model. Additionally, the improvement in thermal transport of viscoelastic fluid is suggested with radiative phenomenon. The convective boundary constraints are used to report the thermos-diffusion phenomenon. The system based on dimensionless form is obtained with interaction of new variables. The shooting technique is used for numerical observations by using MATLAB software. The physical impact of phenomenon in view of parameters is graphically attributed. It has been noted that increasing velocity profile is results due to curvature parameter and viscoelastic parameter. The enhancement in thermal profile is noted due to Dufour number and Eckert number. 相似文献
6.
In this paper, a time‐fractional diffusion equation with singular source term is considered. The Caputo fractional derivative with order 0<α ?1 is applied to the temporal variable. Under specific initial and boundary conditions, we find that the time‐fractional diffusion equation presents quenching solution that is not globally well‐defined as time goes to infinity. The quenching time is estimated by using the eigenfunction of linear fractional diffusion equation. Moreover, by implementing a finite difference scheme, we give some numerical simulations to demonstrate the theoretical analysis. Copyright © 2017 John Wiley & Sons, Ltd. 相似文献
7.
Zoi G. Lada Amaia Soto Beobide Georgios N. Mathioudakis George A. Voyiatzis 《Molecules (Basel, Switzerland)》2021,26(1)
Polymeric composites constitute an appealing class of materials with applications in various fields. Spin crossover (SCO) coordination complexes are switchable materials with potential use in data storage and sensors. Their incorporation into polymers can be considered an effective method for their wider practical application. In this study, Fe(II) SCO/polylactic acid hybrid polymeric composites have been prepared by film casting. The mononuclear coordination complex [Fe{N(CN)2}2(abpt)2] was incorporated into polylactic acid. The morphological, structural and thermoanalytical characterization of the composite films were performed via scanning electron microscopy (SEM), attenuated total reflectance (ATR/FTIR), Raman spectroscopy and differential scanning calorimetry (DSC). In addition, the migration release study (MRS) of the SCO compound from the polymeric matrix into the food simulant 50% v/v water/ethanol solution was also examined via UV/Vis absorption. Of particular interest was the investigation of the SCO behavior of the coordination complex after its incorporation into the polymer matrix; it was accomplished by temperature-dependent micro-Raman spectroscopy. The described attempt could be considered a preparatory step toward the development of SCO-based temperature sensors integrated into food packaging materials. 相似文献
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10.
用Trefftz型边界解法分析了中厚板弯曲问题,发现了一类新的、因Trefftz函数溢机引起的“自锁现象”,并提出了一种消除这类自锁问题的“变量减缩法”。 相似文献