H-bond and conformations of donors and acceptors in model polyether based polyurethanes

The molecular mechanics (MM) method with COMPASS force field was used to study the H-bonds in the polyether based polyurethane model molecules. Availability of the calculation was firstly verified in comparison of some H-bonded model molecules, which were studied by using ab initio calculation, and those calculated by MM. Based on a urethane model molecule 1,3-dimethylcarbamate, which can be donor or acceptor and behaves in various conformations, it is reasonable to have a large number of H-bond interactions between various conformational donors and acceptors. For examining all the possible interaction patterns, we studied 57H-bond complexes. This systematic modeling covers well-known four types of interaction patterns, such as NH?OC (Type I), NH?O-CO (Type II), NH?NH (Type III), NH?COC (Type IV) in the system. Obtained H-bond energies were used to analyze the probabilities of the complexes. For the interaction within the hard segments, or Type I, Type II and Type III, a predominant H-bond complex has been found in the present study, which belongs to Type I. For the interaction between the hard segment and the soft segment, two conformations of Type IV were calculated to be existed.     

A note on the Gauss-Jacobi quadrature formulae for singular integral equations of the second kind

A fast and efficient numerical method based on the Gauss-Jacobi quadrature is described that is suitable for solving Fredholm singular integral equations of the second kind that are frequently encountered in fracture and contact mechanics. Here we concentrate on the case when the unknown function is singular at both ends of the interval. Quadrature formulae involve fixed nodal points and provide exact results for polynomials of degree 2n − 1, where n is the number of nodes. Finally, an application of the method to a plane problem involving complete contact is presented.     

优化项目管理MIS系统方案设计

按照工程项目“五制”管理的要求 ,以规范管理和提升工程质量为系统开发的基础和前提 ,探索适合本行业使用的项目MIS系统设计方案 ,并对其功能模型、数据规划、构造处理模型、数学模型进行分析     

一个新颖的轮廓线跟踪算法

提出了一个新颖的基于隐马尔科夫模型与光流的轮廓线跟踪算法。曲线描绘由B样条形状空间向量来表达,能够捕捉全局和局部变形。提出应用沿曲线的光流计算来预测曲线在下一帧的位置,在预测曲线的基础上,提出应用隐马尔科夫模型来准确定位曲线的位置。隐马尔科夫模型提供了一种有效的概率手段来融合多种量测特征比如边缘,曲线平滑性,区域灰度或颜色统计信息等等,能够更准确的定位曲线位置。基于仿射形状空间的实验了表明本文所提出算法的有效性。     

哈得4联合站技术改造

位于塔克拉玛干大沙漠腹地的哈得4油田,2004年成为全国最大的沙漠油田,2005年产量达到200×104t。在对联合站存在问题逐一分析的基础上,提出了技术改造的措施。现场采集的运行数据表明技术改造效果明显,增强了流程可靠性,提高了自动化水平,降低了能耗。     

碱法造纸黑液驱油研究

在玻璃细珠充填柱人造岩心模型上进行了碱法造纸黑液驱替稠油的实验研究，考察了稠油酸值、盐、温度、岩心渗透率、注入量和注入方式的影响。在实验条件下碱法造纸黑液驱稠油的采收率较水驱提高２５％     

煤矿生产、安全调度LED电子大屏幕显示系统的设计

通过比较煤矿生产、安全调度显示方式的优缺点，提出和分析了适合于煤矿生产安全调度的ＬＥＤ电子大屏幕显示系统配置、功能及特点。     

On the determination of optimal transition profile of a stepped bar in tension or in torsion by BEM

The objective is to have uniformly distributed tangential stresses on the transition profile of a stepped bar subjected to tensile and torsional loading using an axisymmetric boundary element formulation. The transition curve is represented by the Langragian interpolation polynomial with progressive degrees to avoid shape distortion during the optimization procedure. The calculated result is compared with that obtained by fluid dynamics given in the literature. It is seen that the transition curve obtained in this paper is reasonable.