S2Cl2异构体最大硬度原理的密度泛函理论研究

在LDA／NL水平研究了最大硬度原理(MHP)在S2C12分子旋转异构化过程中的真实性。报告了S2C12分子在键的旋转异构化过程形成的各种异构体分子的硬度、化学势和总能量的计算值，并由此得出重要结论：①在分子旋转异构化过程中，硬度最大的分子能量最小，而硬度最小的分子能量最大，用计算的硬度表征S2Cl2异构体的稳定性与计算的总能量表征S2C12异构体的稳定性相当吻合，从而使最大硬度原理被进一步证实。②虽然化学势不宜表征异构体的稳定性，但是恒定的化学势是最大硬度原理成立的重要条件。     

光纤Bragg光栅传感器在土木工程中的应用

在介绍了光纤Bragg光栅传感器的基本原理和解调方法后，对光纤Bragg光栅传感器在土木工程中的国内外的应用作了详细的综述，探讨了光纤Bragg光栅传感器用于土木工程检测时的一些关键问题，指明了其广阔的应用前景。     

A dynamic fuzzy clustering method based on genetic algorithm

A dynamic fuzzy clustering method is presented based on the genetic algorithm. By calculating the fuzzy dissimilarity between samples the essential associations among samples are modeled factually. The fuzzy dissimilarity between two samples is mapped into their Euclidean distance, that is, the high dimensional samples are mapped into the two-dimensional plane. The mapping is optimized globally by the genetic algorithm, which adjusts the coordinates of each sample, and thus the Euclidean distance, to approximate to the fuzzy dissimilarity between samples gradually. A key advantage of the proposed method is that the clustering is independent of the space distribution of input samples, which improves the flexibility and visualization. This method possesses characteristics of a faster convergence rate and more exact clustering than some typical clustering algorithms. Simulated experiments show the feasibility and availability of the proposed method.     

苯乙烯在酞菁钴分子筛催化下的环氧化反应

在相转移催化剂的协同作用下和溶剂 /水两相体系中 ,对在分子筛超笼中原位合成的酞菁钴催化剂(CoPC NaY)存在下的苯乙烯与次氯酸钠 (NaOCl)的环氧化反应进行了实验研究。采用GC MS联用仪和Varian34 0 0型气相色谱仪对环氧化产物进行了定性和定量分析。研究结果表明 ,在分子筛超笼中原位合成的酞菁钴 ,在溶剂 /水两相体系中对苯乙烯环氧化有一定的催化活性和选择性 ,苯乙烯环氧化的主要产物是苯基环氧乙烷和苯甲醛。在 5 5℃时 ,苯乙烯的转化率达到 5 4%,对苯基环氧乙烷的选择性达到 6 5 %。反应温度和氧化剂的加入量影响苯乙烯环氧化的转化率和苯基环氧乙烷的选择性 ,而反应时间只影响反应的转化率。在CoPC NaY催化苯乙烯与次氯酸钠的环氧化反应过程中 ,氧化剂 (OCl-)首先进入大分子化合物酞菁钴驻留的超笼中 ,将氧转移到酞菁钴催化剂上 ,形成一个高价的钴氧化物中间体 (OCoPC) ;然后苯乙烯在相转移催化剂的作用下通过相间扩散进入水相 ,并被分子筛吸附进入孔道 ,最后与钴氧化物中间体接触 ,此中间体将氧转移给苯乙烯 ,生成环氧化物。     

正则图邻接矩阵的非奇异性

证明了当n,k中至少有一个为偶数(0相似文献   

Effect of Carboxymethyl Starch as Stabilizer for Increasing the Stability of Warp Sizing Pastes

The influences of carboxymethyl starch used as stabilizer upon the stability of native cornstarch-polyvinyl alcohol blend pastes for warp sizing have been investigated. The effect of the modified starch on the paste stability was evaluated in terms of the initial demixing time and the volume percentage of separated starch. The carboxymethyl starch with a series of different degrees of substitution was prepared in ethanol dispersion by varying the amount of monochloroacetic acid reacted with refined native cornstarch. The paste stability strongly depends on the modification extent and amount of carboxymethyl starch used, and on native starch content in the paste. Increase in the modification extent and/or the amount of the modified starch effectively retards the phase separation and reduces the separation extent of native cornstarch-polyvinyl alcohol blend pastes. Moreover, the mechanism and favorable modification extent of carboxymethyl starch for enhancing paste stability are also investigated and disc     

Dynamical framework with blocking topography coordinates for atmospheric GCM and its validation

The dynamical framework with Blocking Topography Coordinates (hereafter, BTC), which is suited to handle the steep topography for the atmospheric general circulation models, is presented in this paper, together with its validation results. The integral properties of both the differential and finite-difference equations for the BTC dynamical core are: gross mass conservation, quadratic conservation for advection terms, Coriolis force does not change the kinetic energy, conservation of total available energy. The improved nonlinear iteration scheme is utilized for the time-integration. The energy conservation for BTC dynamical core is validated by using the integration results from 9-layer and 21-layer version respectively. Comparison results show that, the changes of the kinetic energy and total available potential energy during the integration are quite close for both the BTC dynamical framework and the dynamical framework of IAP 9-level and IAP 21-level AGCM, and this may suggest that the BTC dynamical core can be used for long-term integration with good computational stability. Furthermore, the BTC dynamical core has the advantage over the terrain following (sigma) coordinates in its better representation of the influence of the large-scale topography on the atmospheric general circulation. Finally, the correctness and reasonableness of the BTC dynamical core has been further proved by the numerical simulation of the topography influence on the quasi-stationary planetary wave with 21-layer version of BTC dynamical framework.     

MPEG-2传输流再复用器的设计

提出一套MPEG—2传输流再复用器的设计方案。该方案采用CAM RAM组合代替简单的RAM结构用于构造PID信息表，在保证速度的基础上，大大节约了资源；提出了“两步法”PCR校正算法，在保证节目时钟基准(PCR)校正精度的基础上，大大减小了硬件设计的复杂度；基于该再复用器，提出了MPEG—2传输流、纯数据、主控机插入等几种实用的数据插入方式，以适应不同的应用环境。     

活性氧消毒剂制备技术及空气消毒效果的研究

文中对活性氧消毒剂的制备工艺及其对于空气的消毒效果进行了阐述，说明其制造工艺是一种原子经济反应，新型的环境友好化工过程，对白色念球菌(Pseudomonasaeruginosa)、金黄色葡萄球菌 (Sylococcusccureus)的杀菌效果均高达99.90%，通过相关的试验数据说明消毒剂的性能稳定，无毒，对皮肤无刺激性。     

正确处理图书馆转型期的几种关系

随着社会主义市场经济体制的建立和现代信息技术的迅猛发展，图书馆处于转型期。为了使图书馆顺利转型并良性发展，图书馆决策者应正确认识和处理一些关系问题。包括数字图书馆与传统图书馆关系、数字化建设与队伍建设的关系、馆际合作与资源共享的关系、传统读者服务与现代信息服务的关系、管理体制改革与发展的关系。