Mathematical modeling of crystallization analysis fractionation (Crystaf) of polyethylene

Four polyethylene samples (PE) with different molecular weight distributions (MWD) were analyzed by crystallization analysis fractionation (Crystaf) at several cooling rates to investigate the effect of MWD and cooling rate on their Crystaf profiles. Using these results, we developed a mathematical model for Crystaf that considers crystallization kinetic effects, which are ignored in all previous Crystaf models. The Crystaf model we proposed can fit the experimental Crystaf profiles of the 4 polyethylene resins very well. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2749–2759, 2006     

能耗率极值原理和重力理论交互作用下粗质颗粒的浓度垂线分布

本文同时运用能耗率极值原理和重力理论研究了固液两相流在粗质颗粒时固相浓度的垂线分布,通过探讨能耗率极值原理对“非单向性”作用问题,进一步揭示了两相流运动的机理。计算结果与实测数据有较好的吻合。其研究方法、原理、步骤也极易推广到其它各种粒径的固相。     

Spin Density Distribution in 2,4,6-Triphenylphenoxyl

The distribution of the unpaired electron over the oxygen and the 24 carbon atoms in the free 2,4,6-triphenylphenoxy radical was determined by electron spin resonance spectroscopy and quantum-mechanical approximation methods. The hyperfine splitting was evaluated with the aid of the spectra of triphenylphenoxyls deuterated in some or all of the substituent phenyl groups. The results of the quantum-mechanical approximations were checked by recording the ESR spectra of triphenylphenoxyls labeled with ¹³C in positions 1,2,3, or 4 of the central ring. The spin density distribution permits a first discussion of the ¹⁷O-coupling constants of correspondingly labeled triphenylphenoxyl and other organic free radicals.     

Comparison of the Hartree-Fock,Møller-Plesset,and Hartree-Fock-Slater method with respect to electrostatic properties of small molecules

Summary The results of various quantum chemical calculations, the Hartree-Fock (HF) method, the Møller-Plesset perturbation theory (MP2), and the Hartree-Fock-Slater (HFS) method are compared. Atomic charges, dipole moments, topological properties of the electron density distribution and polarizabilities, and first hyperpolarizabilities are calculated. Atomic charges obtained with the HFS method are found to be very close to those calculated with the MP2 method, from which we conclude that the HFS method describes to some extent electron correlation effects. Performing an MP2 calculation after an HF calculation improves the molecular dipole moments considerably, yielding values close to the experimental ones. HFS calculations are computationally less demanding than MP2 and yield comparable results for the electron density distributions, dipole moments and polarizabilities.     

脉冲示踪法实验误差分析

本文从理论和实验两方面分析了脉冲示踪法中脉冲时间、示踪剂输入和记录仪记录时间差、示踪剂纯度与用量和实验温度对反应器内物料停留时间分布和流动模型参数测定误差的影响,以便在实验中采取相应措施减小或消除误差,获得准确的实验结果。     

车用电控汽油机实时爆震检测方案的研究

研究一种可以满足准确性,实时性要求的车用电控汽油机爆震检测方案,方法 测量缸盖的振动信号,确定爆震检测频率,运用概率和数理统计的方法。对缸盖振动信号进行分析,找出规律性,在非爆震,严重爆震,爆震时,爆震检测区间内信号峰值都服从对数正态分布。     

坐标动量几率相关分布的辛普森法研究

用辛普森法研究了不同体系的粒子在动量空间和坐标空间的几率分布的相关性及坐标和动量的分布宽度之积与宽度内所含几率的关系。     

变质量高阶非线性非完整系统的相对论性Kane方程

本文在同时考虑经典变质量和相对论变质量的情况下,由相对论性成有Ｄ’Ａｌｅｍｂｅｒｔ原理推导出变质量高阶非线性非完整系统的相对论性Ｋａｎｅ方程。     

Weibull分布和极值分布场合下简单步进应力加速寿命试验的最优设计

产品的加速寿命试验被用来较快地获得关于产品寿命分布的信息.本文研究了Weibull分布和极小值分布下简单步加试验的最优设计问题.为解决Nelson折算法对极小值分布的数据处理产生特殊情况的问题,作者应用近年来一些新的研究成果,将位置-尺度分布中的尺度参数设为随应力变化的量进行最优设计.给出一实例,并将其推广到更一般的形式.