Predicting Initial Formation Temperature for Deep Well Engineering with a New Method

With the progress of science and technology, human beings explore the energy under-ground with thousands of meters. As a thermophysical parameter, initial formation temperature (IFT) plays an essential...     

Novel halogenated cyclopentasilylene-2,4-dienes via DFT

In view of immense importance of silylenes and the fact that their properties undergo significant changes on substitution with halogens, here, we have used B3LYP/6-311++G** level of theory to access the effects of 1–4 halogens (X = F, Cl, Br, and I) on four unprecedented sets of cyclopentasilylene-2,4-dienes; with the following formulas: SiC₄H₃X ( 1 _X ), SiC₄H₂X₂ ( 2 _X ), SiC₄HX₃ ( 3 _X ), and SiC₄X₄ ( 4 _X ). In going down from F to I, the singlet (s)-triplet (t) energy gap (ΔE_s-t, a possible indication of stability), and band gap (ΔE_H-L) decrease while nucleophilicity (N), chemical potential (μ), and proton affinity (PA) increase. The overall order of N, μ, and PA for each X is 2 _X > 1 _X > 3 _X > 4 _X . Precedence of 2 _X over 1 _X is attributed to the symmetric cross conjugation in the former. The highest and lowest N are shown by 2 _I and 4 _F . The trend of divalent angle () for each X is 4 _X > 1 _X > 3 _X > 2 _X . The results show that in going from electron withdrawing groups (EWGs) to electron donating groups (EDGs), the ΔE_s-t and ΔE_H-L decrease while N, μ, and PA increase. Also, rather high N of our scrutinized silylenes may suggest new promising ligands in organometallic chemistry.     

介质折射率对一维三元光子晶体带隙的影响

利用光学传输矩阵法,数值模拟了一维二元、三元光子晶体的带隙结构,得出:三元光子晶体的主带隙略宽于二元光子晶体的主带隙;三元光子晶体的主带隙主要取决于最高折射率的介质和最低折射率的介质,而与居于两者之间的介质关系不大,并作出了相应的关系曲线。最后推导了三元光子晶体的色散关系。     

一种基于GIS的选址问题及算法

本文考虑了选址区域内存在地理阻断情况下的一种基于GIS的选址问题.对单配送中心选址模型,以GIS返回的任意两点间的最短可行路径的长度作为修正距离函数,分析了目标函数在凸形选址区域上非凸非连续的性质.进一步,采用给出了一种近似搜索算法并通过一个实例计算与重心法进行了比较.     

The many proofs of an identity on the norm of oblique projections

Given an oblique projector P on a Hilbert space, i.e., an operator satisfying P ²=P, which is neither null nor the identity, it holds that ||P|| = ||I –P||. This useful equality, while not widely-known, has been proven repeatedly in the literature. Many published proofs are reviewed, and simpler ones are presented.     

Studying the process of ionization of hydrogen in conditions of its forced delivery to a porous nickel oxide electrode

The hydrogen ionization process is studied experimentally on an industrial sintered nickel oxide electrode in models of sealed nickel-metal hydride batteries. It is shown that the hydrogen ionization rates that are reached during overcharge by high current densities in conditions of forced gas delivery into the electrode pores (up to 40 mA cm^?2) exceed the self-discharge rate of a nickel-hydrogen battery by two orders of magnitude. Up to 70% of hydrogen delivered into the compact assembly block undergoes ionization during forced charge of models of sealed nickel-metal hydride batteries with a closed hydrogen cycle. Two independent methods (potentiostatic and manometric) are used to determine the relationship between rates of hydrogen ionization with the degree of the electrode filling with gas and perform estimation of the process intensity at a unit reaction surface. It is established that, in conditions of forced gas delivery, practically all the hydrogen oxidation current is generated at the surface of the nickel oxide electrode beneath thin films of an electrolyte solution at the rate of 4–5 mA cm^?2. It is shown that the hydrogen oxidation rate on a nickel oxide electrode filled in part by gas is independent of the electrode potential, probably because of a tangible contribution made by diffusion limitations to the overall hampering of the process.     

一维核废料污染问题的一个二阶格式

利用降价法研究了多孔介质中一维核废料污染问题，此模型由一非线性抛物－椭圆耦合偏微分方程组的初边值问题来描述，对此问题给出了一个关于时间和空间均具有二阶精度的差分格式，并进行了理论分析。     

连铸坯角部传热过程的数值模拟

在连铸理论与实践研究的基础上，提出了系数法铸坯角部热通量模型，为准确研究铸坯角部传热、应力和角部缺陷的产生提供了条件。     

1+1/2对转涡轮叶排轴向间距对性能影响的研究

木文对1+1/2对转涡轮中轴向间距影响进行了初步研究。对不同轴向间距叶栅流场进行了大量时间精确模拟。研究表明,1+1/2对转涡轮高低压转叶间轴向间距成为追求高效率的制约因素,轴向间距为高压转叶喉部宽度是关键点。因此有关小轴向间距下强激波/叶排干扰的研究应该加强。