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Based on density functional theory and electronegativity equalization principle,applying an atom-bond electronegativity equalization σπ model,using a separated program,we calculated the charge distributions and dipole moments of guanine tautomers.

以密度泛函和电负性均衡原理为基础发展的原子-键电负性均衡方法的σπ模型。并结合自编程序,计算了鸟嘌呤五种异构体的电荷分布和偶极矩,计算结果表明,所计算出的电荷分布可以和从头算结果很好地关联。所计算的偶极矩与其它从头计算方法和力场方法相比总体趋势相同,进一步说明了ABEEMσπ模型的合理性

Based on the traditional mechanical model the buble point method of three diagonal matrix, an neural network model of gas-liquid equilibrium computation for liquid air, which makes system presure P and equilibrium component of liquid phrase x1,x2,x3 as input nodes makes system temperature T, equilibrium component of gas nitrogen y1, equilibrium constant of argon and oxygen k2, k3 as output nodes, insteads of the buble point computation of the three diagonal matrix , thus a improved distillation model is built.

在传统的机理模型三对角矩阵法中的泡点法基础上,将体系压力P,平衡液相组成x1, x2, x3 为输入节点体系温度T ,平衡汽相氮组成y1 及氩、氧的相平衡常数k2, k3 为输出节点的神经网络液体空气汽液平衡计算模型,取代三对角矩阵法中泡点计算,从而建立改进的精馏塔模型改进模型用于空分塔的模拟计算,不仅计算速度快,计算结果与机理模型结果非常接近,且符合设计要求,对实现产品质量的在线监控具有一定的指导意义

The hydrodynamic performance and the calculation of induced velocity along flow on the constant point after foil shows that if the effects of tip vortex and decay of vortex panel strength be considered, the accuracy of calculation can be increased. Velocity peak value in propeller wake current and distribution of induced velocity after three-dimensional short foil else can be calculated accurately.

通过对三维短翼的水动力性能和翼后给定点沿流向的诱导速度计算表明:采用考虑翼梢涡影响和涡的衰减影响的计算模型,可以提高三维短翼的水动力性能计算精度;可以准确地计算出螺旋桨尾流场的速度峰值;可以较好地计算出三维短翼翼后的诱导速度分布。

Compile the embedded software with C, this includes calculation of blood pressure, heart rate, artery stiffness, artery compliance, peripheral resistance and stroke volume, etc.

基于C语言的嵌入式软件的编写,这其中包括血压的计算、心率的计算、动脉弹性的计算、动脉顺应性的计算以及外周阻力和心搏量等参数的计算

The main contents are as follows: the basic knowledge of reinforcement and concrete; the principle of ferroconcrete in structural design and computation; the computation of bearing capacity in the normal and oblique section of flexural member; the computation method of member in torsion, tension and compression; the computation of distortion and crack width in members of the ferroconcrete in the design principle, stress analysis and the computation of the bearing capacity in the pre-stressed concrete structure and give an outline of the tier building and multistoried building.

主要内容有:钢筋和混凝土材料的基本知识;钢筋混凝土机构设计计算原理、设计方法;受弯构件正截面、斜截面承载力计算;受弯受扭受拉构件的承载力计算方法;钢筋混凝土构件的变形和裂缝宽度计算;预应力混凝土结构设计原理、应力分析及承载力计算;并简要介绍多层及高层建筑物结构。

According to the main equipment of Wei 12-1 workover rig and drilling basis data of adjustment well, the hook load and torque of drill string are found out and a new drilling string is presented by using the torque and drag analysis model and calculating software, on which depend to calculate and evaluate the capacity of main drilling equipment of Wei 12-1 workover rig , such as derrick, drawworks, and rotary table, as well as hoisting equipment (traveling block, hook and swivel) and drill line etc.

根据涠12-1修井机主要配套设备和钻调整井的钻井基础数据,运用钻柱摩阻的计算模型,对侧钻过程中钻柱的摩阻/扭矩进行分析计算,提出新的钻具组合,计算大钩载荷及扭矩载荷,并根据计算出的大钩载荷及扭矩载荷,对平台修井机主要钻井设备井架、绞车、转盘、提升设备、钻井大绳等的承载能力进行分析计算,得出分析研究结论,并提出改造的具体思路及相关配套技术的实施方案。

Based on the measure of sand geometry in M Block and comparison of results calculated with Spherical, Exponential and Gaussian Model, it is concluded that different variogram models get very different variogram range in major and minor direction.

在详细解剖M油田的砂体几何形态的基础上,对比分析球模型、指数模型和高斯模型的计算结果,3种模型计算的变差函数长变程误差15%,短变程误差25%,方向也不一样;同时运用不同模型计算的砂体体积亦有较明显的差别:砂体越发育,砂体连通性越强,不同模型计算的砂体体积相差越小;砂体越不发育,砂体连通性越差,不同模型计算的砂体体积相差越大。

The numerical model of non-linear wave in harbor, including the non-coupled and non-linear wave numerical model, the numerical model combined Boussinesq equations with Laplace equation and the coupled numerical model combined Boussinesq equations with Euler's equations, are studied.The studies on non-coupled and non-linear wave numerical model are following.

本文分别以Boussinesq方程,二维和三维Laplace方程,欧拉方程和牛顿第二定律作为基本控制方程,分别从非耦合非线性波浪计算模型(指单独采用一个计算模型:本文指Boussinesq方程,或边界元法解Laplace方程,或有限元法解Laplace方程)、Boussinesq方程与Laplace方程耦合计算模型、Boussinesq方程与欧拉方程耦合计算模型三个方面对港口非线性波浪计算模型展开了研究。

Based on the Miedema model and Tanaka equation, a new method for calculating the parameters in the molecular interaction volume model has been developed to predict the activity coefficient s of multicomponent liquid alloys, in which not experimental data but only some physical properties of elements are required.

基于Miedema模型和Tanaka关系,提出了计算分子相互作用体积模型参数的新方法。该方法仅需知道元素的某些物理性质而无须熔体的实验数据,简化了计算多元合金熔体活度系数的步骤。分别计算了Ti-6Al-4V和Ti-5Al-2.5Sn在不同温度下组元活度系数的变化,计算了多种铜基合金以及Zn-Sn-Pb-Cd-Bi合金的活度或活度系数与组元配比的关系;并与Wilson模型进行了比较,计算值与实验值较好吻合

The analysis shows that when λ is amended the resolution of single group delayed neutron model is approximately equal to the numerical solution of six groups delayed neutron model, which meets engineering accuracy.

结果表明:采用修正后的单组解析方法计算阶跃正反应性输入的中子密度响应,计算结果与六组的接近,满足工程计算精度要求,同时计算简便,避免了刚性问题,可以实现快速计算

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