用化学平衡常数证明影响化学平衡的因素

在中学化学影响化学平衡条件的教学中,依据中学化学教材介绍的化学平衡常数表达式,来分析和证明影响化学平衡移动的因素,这是一种新教法。此教法能使学生快速明白和快速判断化学平衡移动的方向。同时,还能使学生进一步理解化学平衡常数的意义。     

Biological Evaluation and Structure Modification of （S）-3-Aminopyrrolidine Derivatives

With our interest in （S）-3-aminopyrrolidine derivatives,we further screened inhibition activities of three hit compounds on many other kinases with the results demonstrating that this series of compounds shows better anticancer activities,which might result from the main block of PI3K/Akt signaling pathway and the inhibition of Abelson murine leukemia viral oncogene homolog（ABL） kinase,as well as some epidermal growth factors.Further structure modification demonstrates that benzylsulfonyl group is the necessary functional group contributing to the biological activity that will be helpful to guiding us to optimize these （S）-3-aminopyrrolidine derivatives.     

Mechanism Construction and Simulation for High-temperature Combustion of n-Propylcyclohexane

A detailed mechanism covering 545 species and 3105 reactions for high-temperature combustion of n-propylcyclohexane（n-PCH）, generated via a mechanism generation program（ReaxGen） developed by our research group, was validated in this study. A semi-detailed mechanism involved with 195 species and 573 reactions and a skeletal mechanism concerned with 108 species and 393 reactions were obtained by means of rate-of-production analysis and path flux analysis（PFA）, respectively. In order to validate the reliability of these mechanisms, ignition delay time, laminar flame speed and concentration profiles of important species were simulated with the help of CHEMKIN software. Numerically predicted results of our mechanisms are in very good agreement with available experimental data. Finally, major reaction pathways of n-PCH combustion and important reactions during the combustion process were investigated by reaction pathway analysis and sensitivity analysis, respectively. The results indicate that these mechanisms are reliable for describing the auto-ignition characteristics of n-PCH. These mechanisms would also be helpful to computational fluid dynamics（CFD） for engine design. Moreover, this systematic approach used in our study, which combines mechanism construction, simplification, validation and analysis for n-PCH, may also be employed to construct mechanisms for the high-temperature combustion of other cycloalkanes with one ring.     

Study on the separation of 100 TeV γ-rays from cosmic rays for the Tibet ASγ experiment

A γ/hadron separation analysis is described for the observed air shower events with primary energy above 100 TeV based on the Tibet AST detector configuration. The shower age and size parameters are fitted from the measured lateral density distribution and used as discrimination variables. According to the MC simulation while taking into account the systematic uncertainty estimated from data and MC comparison,it is found that 70% of the cosmic ray (CR) background can be rejected while more than 78% of the γ-rays can be retained. Sensitivity for 100 TeV γ-rays observation can thus be improved by at least 40%.     

磁驱动准等熵平面压缩和超高速飞片发射实验技术原理、装置及应用

利用脉冲大电流产生随时间平滑上升的磁压,实现对样品的准等熵平面压缩和超高速飞片发射,是近十年来发展和完善起来的一种新型的强动态斜波加载技术(ramp wave loading).本文简述了其原理、加载装置及数据处理方法等方面的研究进展,同时着重评述利用该技术和方法开展高压物态方程、材料动力学响应方面的研究进展,并对该技术在冲击动力学、天体物理和高能量密度物理等方面的应用前景进行了展望.      

磁驱动高速飞片实验样品设计

利用理论与数值模拟相结合的方法对磁驱动飞片实验样品的尺寸设计进行了分析探讨,给出了横 向尺寸设计的估算公式、长度设计原则、影响厚度设计的主要因素等。     

激波管实验研究非均匀流场R-M不稳定性

利用激波管装置及马赫数为1.27的弱入射激波实验研究了SF6非均匀流场的R-M不稳定性。Air/SF6初始正弦界面由厚度为0.5μm的薄膜相隔得到,由阴影方法记录界面演化过程。实验结果表明:由于不稳定性,重流体(SF6)向轻流体(Air)演化成"尖钉"结构,而轻流体演化为"气泡"结构;由于界面切向速度差的Kelvin-Helmholtz不稳定性,"尖钉"头部翻转成蘑菇头形状;由于流场密度分布不均,低密度区流场扰动增长较快,扰动振幅发展的实验结果与PPM数值计算的结果较吻合。     

Quantum Dynamics of Entanglement and Single Excitation Transfer in LH1-RC-Type Trimer

In this paper, we study quantum dynamics of entanglement and single excitation transfer (SET) in an LH1-RC-type trimer which can describe a basic unit cell in the LH1-RC complex in the photosynthetic process. It is shown that there exists a sudden change of entanglement at the critic point of quantum phase transition (QPT) of the system at low temperatures, the entanglement sudden change caused by the QPT is suppressed at higher temperatures. We investigate the influence of environment on entanglement and SET. We show the generation of the dephasing-assisted entanglement between a donor and an acceptor and the existence of the steady-state entanglement, and demonstrate the entanglement transfer from donor-donor entanglement to donor-acceptor entanglement in the dynamic evolution. We reveal the close relation between the SET probability and donor-acceptor entanglement. Especially, we find that the SET probability is proportional to the amount of donor-acceptor entanglement under certain conditions.     

基于主成分回归的温度分布反演研究

多谱辐射测温是一种非接触温度测量方法,目前常用的多谱辐射测温只能反演出一个近似温度值,而无法给出实际的温度分布。针对此问题,基于普朗克定律,采用主成分回归算法,以强激光毁伤靶材温度测量为例,在脉冲能量为34.2 J的激光入射条件下,从热辐射谱中反演出近似温度值为2 700 K,拟合相对偏差为0.5%,当温度分布范围为2 600～2 800 K时,拟合相对偏差减小为0.13%,减小了温度反演偏差。首次给出了基于主成分回归方法的温度分布反演,提高了非接触式温度测量的表征精度。     

基于灰度关联分析的冬小麦叶片含水量高光谱估测

尝试应用灰色关联分析方法(GRA)分析典型的水分植被指数(WVI)和水分含量(LWC)间的关联度,然后选择对冬小麦叶片水含量敏感的指数,比较SRM-PLS(逐步回归-偏最小二乘)方法和PLS方法估算LWC的精度。首先,对冬小麦WVI与LWC进行灰色关联分析,筛选出对冬小麦LWC敏感的WVI;其次,利用筛选出的敏感WVI,分别用PLS-SRM方法和PLS两种方式估算冬小麦LWC;然后对两种方式进行比较,选择最高决定系数(R2)和最小均方根误差(RMSE)的LWC估算模型来估算冬小麦LWC。结果表明：在整个生育期用PLS和PLS-SRM方法估算LWC, R2和RMSE分别为0.605和0.575,4.75%和7.35%。研究表明：先使用GRA对WVI和LWC进行关联度分析,再用PLS或PLS-SRM方法可以提高冬小麦的LWC估算精度。