基于改进遗传算法的布局优化子问题

本针对子问题，构造了布局子问题(关于同构布局等价类)的改进遗传算法。将该算法应用于二维布局优化子问题，数值实验表明该算法能够在很好地保持图元的邻接关系的前提下找到子问题的最优解。由于布局优化问题可分解为有限个子问题，所以利用该算法可以找到整个布局优化问题的全局最优解。     

多周期公用工程系统运行的模型,优化方法与应用

针对多周期公用工程系统的运行优化问题，考虑了设备的启停费用的情况下。建立了混合整数非线性规划模型并证明了最优解的存在性。针对该运行优化问题本将其分解成若干子问题，然后利用改进的Hooke-Jeeves优化算法求解每个子问题。应用于具体实例，其数值结果与其它方法得到的相比。运行时间短，且更适合多周期公用工程问题的求解。     

AN IMPROVED SEARCH-EXTENTION METHOD FOR SOLVING SEMILINEAR PDES

This article will combine the finite element method, the interpolated coefftcient finite element method, the eigenfunction expansion method, and the search-extension method to obtain the multiple solutions for semilinear elliptic equations. This strategy not only grently reduces the expensive computation, but also is successfully implemented to obtain multiple solutions for a class of semilinear elliptic boundary value problems with non-odd nonlinearity on some convex or nonconvex domains. Numerical solutions illustrated by their graphics for visualization will show the efficiency of the approach.     

气-固流化床反应器内双流体力学模型及其验证 Ⅱ.单组分两维射流床内流场特性分析

由以质量、动量和能量三大守恒定律为基础的湍流两相流理论出发,建立了描述气固流化床内两相流动的数学模型;在微型计算机上编写了相应的数值计算和图形处理程序;为了验证模型的可靠性,本文着手模拟与分析了单组分颗粒体系两维射流流化床内气、固相速度场、空隙度和压力场随时间、空间变化规律;得到了与前人实验结果相吻合的结论。     

Accurate Gaussian basis sets for the H2O molecule generated with the molecular improved generator coordinate Hartree–Fock method

The molecular improved generator coordinate Hartree–Fock (MIGCHF) method is used to generate accurate basis sets of primitive Gaussian-type functions for the H₂O molecule. Sequences of increasing size atom centered basis sets are employed to explore the accuracy that can be achieved with this method. Using the O(24s14p8d5f2g1h);H(22s9p5d2f1g) basis set, the HF and second-order electron correlation energies of the H₂O ground state at the experimental geometry are computed as −76.0674680 and −0.3491935 hartree, respectively. The HF energy is in error by 20 μhartree and the second-order correlation energy corresponds to 96.5% of an estimate of the limiting value. The relevance of the present calculations is to show the accuracy that can be achieved in studies of small polyatomic molecules with the MIGCHF method.     

考虑订单取件时间和柔性时间窗的取送货车辆路径问题

研究了同城配送中考虑订单取货时间和柔性时间窗的取送货车辆路径问题,考虑同城配送中订单起终点,订单取货时间和订单配送的柔性时间窗,车容量限制等因素。首先构建以配送成本与超时惩罚成本之和最小化为目标的混合整数线性模型。其次,设计了含多种有效不等式及其对应分离算法的改进分支切割算法对该模型进行精确求解。最后通过实验测试分析了不等式的性能,验证了算法的有效性,实验表明适当的减少车辆数和增大装载能力能够有效的减少成本。     

考虑顾客便利半径和质量阈值的竞争设施选址问题

在竞争设施选址问题中,顾客选择行为是决定设施占领市场份额的重要因素,其描述了需求在设施之间的分配方式。为了贴近顾客真实的光顾行为,本文提出了一种考虑顾客便利半径和质量阈值的顾客选择规则,并研究了在该规则下市场中新进入公司的竞争设施选址问题。提出了一种基于排名的遗传算法(RGA)求解该问题,并将该算法与经典遗传算法(GA)和基于排名的离散优化算法(RDOA)进行了比较,结果说明了算法的有效性以及模型中质量阈值的重要性。     

A stereoselective synthesis of squalamine

Squalamine (1) was synthesized stereoselectively in 14 steps and 19% overall yield from 3-keto-5-chenodeoxycholanate (2) by using a modified Sharpless asymmetric dihydroxylation as the key step.     

Microkinetics of H2S Removal by Zinc Oxide in the Presence of Moist Gas Atmosphere

The microkinetics os H2S removeal by ZnO desulfurization in H2O-CO2-N2,H2O-CO-N2 and H2O-O2-N2 gas mixtures was studied by thermogravimetric andlysis.Experiments were carried out with 100-120 mesh ZnO powder at temperatures from 473K to 563K.The results show that the kinetic behaviors of desulfurization could all be described by an improved shrinking-core model.The activation energies of the reaction and the diffusion in different gas atmospheres were estimated.     

胺烷基二茂铁衍生物的合成及其结构与性质的研究

选择不同的胺组分，利用改进的Ugi法合成了一系列含有胺烷基的二茂铁衍生物，并对其结构和性质进行了研究。