化学模拟在反应堆水化学课程中的应用

高温高压化学反应对反应堆设备的可靠性、反应堆性能的控制、核电站运行的安全持久性等具有重要影响，但相关实验难以在高校教学中开展。借助PHREEQC程序及最新热力学数据，建立了反应堆一回路硼酸-氢氧化锂添加配比、腐蚀沉淀物产生及二回路pH控制方案的化学反应模型。运用化学模拟来教学，促进了学生对所学知识的理解与掌握，丰富了现代教学方法。相关模型对核电企业的培训也具有一定参考价值。     

A Simple Interconnection Layer for Tandem Organic Solar Cells with Improved Efficiency and Fill Factor

We demonstrate a simple interconnection layer （ICL） that can be employed in tandem organic solar cells. An ICL with an optimized structure of Ca/Au/MoO3 is used between two sub cells composed of identical regioregularpoly（3-hexylthiophen） （P3HT）：[6,6]-phenyl C61-butyric acid methylester （PCBM） photoactive layers. Power conversion efficiency （PCE） of 3.24% and fill factor （FF） of 68.0% are achieved with such an ICL under simulated sunlight （1 O0 m W. cm- 2 ）. Compared with the best values of devices with ICLs of Ca/Al/MoOa, PCE is improved by 68.9% and FF is improved by 15.5%. The improved performances are attributed to the optical and electrical balances in both sub cells. The presented ICL extracts free charges efficiently from both sub cells thereby suppressing the exaction recombination in each sub cell.     

Event generators for η/η’ rare decays into π~+π~-1~+1~- and e~+e~-μ~+μ~-

Study of the rare and forbidden decays of η/η offers a sensitive probe to test fundamental symmetries of quantum chromodynamics and search for new physics beyond the Standard Model. To study the rare decays of η/η to π + π - e + e - , π + π - μ + μ - and e + e - μ + μ - at the BES detector, we developed several event generators based on the vector meson dominant model with finite-width corrections and the pseudoscalar mesons mixing theory. The various distributions from event generators are in good agreement with the theoretical predictions, which indicates that the event generators work very well after implemention in the BES Monte Carlo simulation package. In the BES physics analysis, the performance of the event generators will be improved in accordance with the distributions of different variables of η/η from data and the improvement on the theoretical calculations.     

New tetraphenylpyridinium-baseci luminogens with aggregation-induced emission characteristics

The research on aggregation-induced emission （AIE） has drawn increasing interests in the past decade. With the efforts scientists paid, a variety of AIE systems have been developed, among which the tetraphenylethelene and silole derivatives are the most studied. Development of new AIE systems could further enrich the AIE molecules and promote the development of AIE area. In this communication, we prepared a new AIE system based on 1,2,4,6-tetraphenylpyridinium ions according to the restriction of intramolecular rotation mechanism. These molecules could be facilely synthesized via one-step and one-pot reaction. The ionic AIE-active molecules could find wide application in sensing and optoelectronic areas.     

半定矩阵秩极小的非凸精确松弛

本文主要研究半定矩阵秩极小问题(P)的非凸精确松弛及其性质.首先,为求解问题(P),我们引入其Schatten p-范数(0＜p＜1)松弛,记为(Sp).其次,通过定义半定限制等距常数和半定限制正交常数,我们给出了问题(P)有唯—解的充分条件.最后,利用半定限制等距性质,我们给出了问题(P)和(Sp)有相同唯一解的充分条件.特别地,对任意0＜p＜1,我们还得到—个一致的精确恢复条件.     

船舶轴系振动教学演示实验台架设计与实验分析

通过船舶轴系振动理论和实践特点的分析,设计和制作了船舶轴系振动教学演示实验台架.同时,在教学演示实验台架与实船之间开展了比对实验,在船舶轴系振动信号、轴系扭振频谱、横振频谱、纵振频谱等关键实验环节进行了比对分析和讨论,得出了船舶轴系振动教学演示实验台架的可用性和可比性.     

一阶回归模型下Q和Q_B准则的几个结果

在试验设计中,一阶回归模型通常被作为合格拟合模型用来从众多因子中筛选出效应显著的特殊因子,而Q和Q_B准则能够比较简单地从大量的合格拟合模型中找出具有最优性质的设计.主要探讨了当拟合模型为一阶回归模型时,二水平的初始设计d与其Double设计(d d d -d)在Q和Q_B准则下的最优关系.给出了初始设计d的Q和Q_B值与其Double设计的Q和Q_B值之间的解析关系,从而得到在Q或Q_B准则下如果初始设计d是最优的,那么其Double设计也是最优的.此外,也分别给出了初始设计d及其Double设计的Q值和Q_B值的一个下界.     

以DNA为靶点的钌(Ⅱ)配合物的合成、晶体结构和抗肿瘤活性

为开发新型钌(Ru)抗肿瘤药物,以3-甲基-2-噻吩甲醛-4-羟基苯甲酰肼席夫碱配体(L)合成了[Ru(L)(DMSO)_2Cl_2](1)(DMSO=二甲基亚砜)。用X射线单晶衍射法测定了1的晶体结构。配合物1的结构由1个Ru(Ⅱ)中心离子与2个DMSO分子、2个氯离子、1个L配位而成。通过MTT实验分析,1对T24细胞表现出良好的抗肿瘤活性。同时,通过彗星实验、蛋白质印迹实验和DNA琼脂糖凝胶电泳实验结果证明1可以有效结合DNA,诱导DNA损伤,最终杀死肿瘤细胞。导致DNA损伤的原因很可能是由于细胞与1孵育后细胞内可以产生大量的活性氧。     

Mn-Fe_2O_3载氧体作用下CO化学链燃烧特性及动力学研究

采用共沉淀法制备不同物质的量比Mn掺杂的铁基载氧体(Mn-Fe2O3),并进行XRD、BET和TEM表征。开展不同温度下Mn-Fe2O3与CO的化学链燃烧实验,研究载氧体的反应特性,确定较优的掺杂量和反应温度。结果表明,适量的Mn掺杂有助于改善铁基载氧体的反应活性,Fe∶Mn物质的量为50∶1时燃烧反应转化率最高。多循环化学链燃烧实验证实了载氧体稳定性较好。不同升温速率(30、40、50℃/min)下反应动力学分析表明,Mn-Fe2O3与CO的化学链燃烧还原反应均属于随机成核和随后生长的Avrami-Erofeev方程模型,并依据模型分别计算出了该模型的活化能和频率因子。