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排序方式: 共有107条查询结果,搜索用时 15 毫秒
1.
The low-temperature oxidation mechanism of n?butyl radicals (n-C4H9) has been investigated by high level quantum chemical calculations coupled with the Rice–Ramsperger–Kassel–Marcus/Master Equation (RRKM/ME) theory. The potential energy surfaces (PES) were explored at the QCISD(T)/CBS//B3LYP/6-311++G(d,p) level. The temperature- and pressure-dependent rate constants were computed and fitted in modified Arrhenius parameters. The major reaction channels were discussed to more deeply understand the competing relationships between chain branching, chain propagation and termination reactions. The results show that the 1,5 H-shift reaction is more competitive than the 1,6 H-shift and 1,4 H-shift for isomerization reactions of n?butyl peroxy radicals, and the concerted HO2 elimination channel to form butene becomes more important at high temperatures. Furthermore, based on our calculations, a revised kinetic model was developed to describe n-butane oxidation. Good consistency between model predictions and experimental data was shown. This study enhances our understanding of the combustion mechanism of n-butane and can be used as a reliable reference for mechanistic understanding of larger alkanes.  相似文献   
2.
International Journal of Theoretical Physics - Quantum-dot is the result of elastic relaxation which has a straight relationship with the optical and electronic aspects of the quantum-dot-based...  相似文献   
3.
考虑铁路集装箱中心站不同装卸任务之间的竞争性因素,采用博弈论的方法,研究中心站在客户竞争驱动下的装卸资源调度及作业顺序问题。建立博弈模型并设计遗传算法,通过求解该问题的典型算例,将得到的均衡解与静态最优解进行对比,分析考虑竞争因素的作业方案与最优作业方案的差异。结果表明该方法在对最优方案影响较小的情况下,充分考虑了各装卸任务间的竞争公平性,为中心站确定更加合理的装卸作业顺序和资源调度提供科学的依据。  相似文献   
4.
采用共沉淀法和热分解法合成了具有核壳结构的MnO2@MgO微球。通过X射线衍射(XRD)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)等手段对材料进行表征,结果发现包覆MgO不改变MnO2的结构,包覆层由纳米颗粒组成,厚度约为50 nm。电化学性能结果显示,包覆后材料的放电比容量明显提高,在100 mA·g^-1电流密度下,最大放电比容量为274.3 mAh·g^-1,比未包覆材料提高了12.8%。在1000 mA·g^-1电流密度下经过500次循环后,包覆后材料的放电比容量保持率高达84.1%,表现出优异的循环稳定性。MgO包覆层的存在避免了MnO2与电解液之间直接接触,抑制了电极材料在充放电过程中锰的溶解,从而显著提高MnO2的循环性能。  相似文献   
5.
最近,孙华定义了一类新的精细化Eulerian多项式,即$$A_n(p,q)=\sum_{\pi\in \mathfrak{S}_n}p^{{\rm odes}(\pi)}q^{{\rm edes}(\pi)},\ \ n\ge 1,$$ 其中$S_n$表示$\{1,2,\ldots,n\}$上全体$n$阶排列的集合, odes$(\pi)$与edes$(\pi)$分别表示$S_n$中排列$\pi$的奇数位与偶数位上降位数的个数.本文利用经典的Eulerian多项式$A_n(q)$ 与Catalan 序列的生成函数$C(q)$,得到精细化Eulerian 多项式$A_n(p,q)$的指数型生成函数及$A_n(p,q)$的显示表达式.在一些特殊情形,本文建立了$A_n(p,q)$与$A_n(0,q)$或$A_n(p,0)$之间的联系,并利用Eulerian数表示多项式$A_n(0,q)$的系数.特别地,这些联系揭示了Euler数$E_n$与Eulerian数$A_{n,k}$之间的一种新的关系.  相似文献   
6.
The thermal properties of chlorosulfonated polyethylene (CSM), which was prepared via gas–solid phase method, were studied in this article. The thermal curves were completely tested by differential thermal analysis, thermogravimetry, and differential thermogravimetry. The results showed that CSM 3550 and CSM 3570 prepared by gas–solid phase method had more excellent thermal properties (high initial/final temperature of degradation) than those via solution method, due to the uniform chlorine distribution of them in macromolecular chain. The differential scanning calorimetry curves showed that the transitions of CSM 3550 and CSM 3570 from glassy to the elastic state were also higher than those via solution method. Particularly, CSM 3570 was amorphous and no clear melting peak was observed during the melting process.  相似文献   
7.
Hu  Xin  Du  Jialu 《Nonlinear dynamics》2018,94(1):365-376
Nonlinear Dynamics - Considering the dynamics characteristics of thruster systems for dynamically positioned marine vessels with model parameter uncertainties and unknown time-varying ocean...  相似文献   
8.
固体氧化物燃料电池(SOFC)以其燃料使用种类广泛、全固态、可以实现热电联产等特有的优势,广泛应用于家居、商业、工业热电联产和便携式用电设备等领域,是一种极具发展前景的绿色发电装置。连接体是SOFC的重要部件之一,其流道结构直接影响反应气体的利用率以及燃料电池的排水及散热性能,对SOFC的综合性能有很大的影响,是SOFC的一个重要的研究方向。本文概述了SOFC的常见结构及其特点,包括平板式、管式和瓦楞式结构。并综述了近十余年来SOFC流道的设计与研究进展,以期对SOFC的流道结构设计和研究提供参考。  相似文献   
9.
《Solid State Sciences》2012,14(3):349-353
ZnO (microdisks)/W18O49 (nanorods) heterostructures were grown on a Si(111) substrate using a thermal evaporation method. X-ray diffraction of the products indicated two separate phases belong to monoclinic W18O49 and hexagonal ZnO structures. Field emission scanning electron microscope (FESEM) images showed W18O49 nanorods with approximately uniform diameters (∼20 nm) on ZnO microdisk. Field emission Auger electron spectroscopy (FEAES) also confirmed two separate elemental characteristics of W18O49 and ZnO. The Raman and photoluminescence (PL) studies demonstrated that the ZnO microdisks have a good crystallinity with excellent optical properties. The Raman results of the ZnO(microdisks)/W18O49(nanorods) heterostructures indicated only W18O49 structure and the PL results of the heterostructures showed two peaks, one in the ultraviolet region at 374 nm and another in the visible region at 500 nm, which both belong to W18O49 nanorods.  相似文献   
10.
本文主要对分数次Hardy算子和Lipschitz函数产生的交换子进行研究,得到了它在一类Herz型和Morrey-Herz型空间上的有界性.进一步还讨论了高阶交换子在这类空间上的有界性.  相似文献   
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