单质硫:合成含硫杂环的优质硫源

含硫杂环化合物在药物、分子器件和材料等诸多领域应用广泛,因而其合成方法备受关注.合成含硫杂环的关键在于分子中C—S键的构建,一般通过含硫有机物或无机物参与的C—H键功能化或C—X键偶联反应来实现.单质硫价廉易得,性质稳定,是合成含硫杂环的优质硫原子供体,因而以单质硫为原料合成含硫杂环成为人们研究的热点.综述了近年来以单质硫为硫源合成各种含硫杂环的研究进展情况.     

镍催化丁二烯、亚胺和烯基硼酸的三组分偶联反应（英文）

发展了一种镍催化的烯基硼酸、亚胺和1,3-丁二烯的三组分偶联反应,用于高效合成含有1,4-二烯结构的高烯丙基胺类化合物.该反应的原料均简单易得,其中1,3-丁二烯是大宗化工产品.该过程实现了少有报道的1,3-丁二烯的1,4-双碳化反应.反应以优秀的区域选择性和立体选择性,高收率地合成了一系列(E)-高烯丙基胺产物,简单温和、无外加碱的反应条件使该方法具有广泛的底物范围和优秀的官能团兼容性.     

Interaction between a screw dislocation and an elastic elliptical inhomogeneity with interfacial cracks

The elastic interaction between a screw dislocation and an elliptical inhomogeneity with interfacial cracks is studied. The screw dislocation may be located outside or inside the inhomogeneity. An efficient complex variable method for the complex multiply connected region is developed, and the general solutions to the problem are derived. As illustrative examples, solutions in explicit series form for complex potentials are presented in the case of one or two interfacial cracks. Image forces on the dislocation are calculated by using the Peach-Koehler formula. The influence of crack geometries and material properties on the image forces is evaluated and discussed. It is shown that the interfacial crack has a significant effect on the equilibrium position of the dislocation near an elliptical-arc interface. The main results indicate, when the length of the crack goes up to a critical value, the presence of the interfacial crack can change the interaction mechanism between a screw dislocation and an elliptical inclusion. The present solutions can include a number of previously known results as special cases.The project supported by the National Natural Science Foundation of China(10272009 and 10472030) and the Natural Science Foundation of Hunan Province(02JJY2014)     

Quadrilateral isoparametric finite elements for plane elastic Cosserat bodies＊

4-node, 8-node and 8(4)-node quadrilateral plane isoparametric elements are used for the solution of boundary value problems in linear isotropic Cosserat elasticity. The patch test is applied to validate the finite elements. Engineering problems of stress concentration around a circular hole in plane strain condition and mechanical behaviors of heterogeneous materials with rigid inclusions and pores are computed to test the accuracy and capability of these three types of finite elements.The project supported by the National Natural Science Foundation of China (10225212, 50178016, 10421002) and the Program for Changjiang Scholars and Innovative Research Team in University of China The English text was polished by Keren Wang.     

多化学组份反应气体流动的Godunov格式

本文将单介质气体流动的Goduoov方法推广到多化学组份气体流动的计算中,建立了多化学组份气体的间断分解公式以及任意四边形网格下的Godunov方法的差分格式,提出了处理自由边界的虚相法,应用第二类网格,计算了超音速射流及其冲击问题的几个算例,并且同实验结果进行了比较。     

颗粒在大涡结构中的弥散

气相采用大涡模拟方法,颗粒相采用轨道模型研究了三维后台阶气粒两相湍流流动的大尺度涡结构的瞬时演变过程以及颗粒的瞬时弥散规律.比较了不同入流速度的颗粒在大涡结构中的瞬时弥散特性,尤其研究了高速释放大颗粒的弥散特性.三维流动中大尺度涡结构具有明显的脱离、发展、合并和破碎过程.小颗粒的分布受大涡结构的控制,其空间的弥散过程与流体 大涡结构的空间发展相一致,但是由于三维流动中大涡边缘和中心区的压力差,颗粒在大尺度 涡的边缘出现密集.而大颗粒在流场中的分布受其惯性控制,对气相的涡结构不敏感.高速释放到流场中的大颗粒受惯性影响最大,保持在其原有动量方向上运动.     

A novel incompressible finite-difference lattice Boltzmann equation for particle-laden flow

In this paper, we propose a novel incompressible finite-difference lattice Boltzmann Equation (FDLBE). Because source terms that reflect the interaction between phases can be accurately described, the new model is suitable for simulating two-way coupling incompressible multiphase flow. The 2-D particle-laden flow over a backward-facing step is chosen as a test case to validate the present method. Favorable results are obtained and the present scheme is shown to have good prospects in practical applications.     

木质素及其模型化合物的加氢脱氧反应研究进展

随着化石能源的不断枯竭,以及所产生的环境问题-温室效应及其高硫含量引起的酸雨,迫使人类寻找新型替代能源.在众多可再生能源中,生物质因其碳中性,易获取,作为唯一可转化为液体燃料的可再生资源,正日益受到重视.全球每年生物质产出高达1.7×1011t,其中,含75%的碳水化合物如纤维素、甲壳素和淀粉,20%木质素,其他占     

高马赫数下激波液滴相互作用的数值模拟研究

本文采用守恒清晰界面多相流数值方法模拟了超声速和高超声速环境下三维液滴的推进、变形和破碎演化过程.数值模拟结果与实验数据的一致性表明了本文所用数值方法和计算程序的准确性, 而网格无关性研究验证了采用的网格分辨率可以捕捉流场和界面的主要特征. 模拟结果验证了高韦伯数下液滴变形破碎过程所遵循的剪切诱导剥离(SIE)破碎机制, 其包含液滴的扁平化和剪切剥离两个主要特征. 而最近发现的SIE破碎机制下的循环破碎机制也在本文得到了验证, 即主液滴从球形液滴破碎为小液滴会经历多个循环重复的破碎阶段, 高韦伯数下液滴的破碎并非一次性剪切剥离的结果, 而是会发生逐层的剪切剥离和破碎. 本文还研究了马赫数对激波冲击液滴加速变形过程的影响. 结果表明, 高韦伯数下不同马赫数的液滴破碎过程具有高度一致性, 并遵循统一的SIE破碎机制.通过对液滴质心位移、速度、加速度和拽力系数的量化统计揭示其运动过程中的统一加速规律. 在激波的驱动下, 液滴并非以一个恒定的加速度做加速运动.在扁平化不明显的前期, 液滴以一个恒定的加速度做加速运动.随着液滴扁平化的发生, 迎风面积的增加导致拽力系数的增大, 进而导致液滴加速度的不断增大.      

Coriolis质量流量计及其原理分析

分析了质量流量计的工作原理,并讨论了有关频率和仪表系数的计算.