Theoretical Studies on Reaction Mechanism of CH3SO with NO

The potential energy surface （PES） of CH3SO radical with NO reaction has been studied at MP2/6-311G（2df, p） and QCISD/6-311G（2df, p） levels. Geometries of the reactants, transition states （TS） and products were optimized at B3LYP/6-311G （d,p） level. The geometries of the transition states were found for the first time. The calculated results show that the reaction can proceed via singlet-state or triplet-state PES. Because of the high energy barrier of triplet surface, the singlet surface reactions are dominant. The topological analysis of electron density shows that there are two kinds of structaral transition states （the bifurcation-type ring structure transition state and the T-shaped conflict structure transition state） in the titled reaction. The total electronic density of the reactants, TS and products and the spin electronic density on the triplet surface were also discussed in this paper.     

蛋白质酶解混合物的动态修饰毛细管电泳-质谱联用分析

利用羟丙基纤维素溶液动态涂层技术修饰毛细管管壁,改善了分离效率.在不影响质谱检测的条件下,将动态涂层毛细管电泳与质谱检测联用,有效地提高了对蛋白质的鉴定能力.将该技术应用于对复杂蛋白质样品的酶解产物的分析鉴定,结果令人满意.     

Studies on the non-isothermal kinetics of the thermal decomposition of [Cu(NBOCTB)][Cu(NO3)4]· H2O

The thermal decomposition process of the complex [Cu(NBOCTB)][Cu(NO₃)₄] H₂O has been studied by TG and DTG technique, and possible intermediates of the thermal decomposition have also been conjectured from the TG and DTG curves. The results suggest that the decomposition of the complex involves five steps: The non-isothermal kinetics of steps 1, 2 and 3 have been studied by means of the Achar and Coats-Redfern method based on TG and DTG curves. Step 1 is a Coring and Growth mechanism (n= 1), its kinetic equation may be expressed as: d/dt=Ae^–E/RT(1–). Steps 2 and 3 are both two order chemical reaction mechanisms, their kinetic equations can be expressed as: d/dt=Ae^–E/RT(1–)².This project was supported by the National Natural Science Youth Fundation of China.     

Numerical simulation and experimental verification of particle coagulation dynamics for a pulsed input

Mathematical simulation of particle coagulation dynamics was carried out using improved sectional modeling techniques for a system with a pulsed input of primary particles. The methodological improvement included the modification of the size density function based on a realistic assumption of particle size distributions, the application of a new and comprehensive curvilinear collision model, and special adjustment for the mass transfer of a doublet of particles that were very different in size. The simulation results demonstrated that the rectilinear model over-predicted the rate of particle coagulation and that the degree of over-prediction increased as the particles increased in size and the system became more heterogeneous. The coagulation rate increased remarkably as the fractal dimension of the particle aggregates decreased. The curvilinear model and the fractal scaling relationship in place of the rectilinear model and the Euclidean sizing geometry are two important modifications to the conventional Smoluchowski modeling approach. However, both modifications, rather than only one of them, should be applied together to produce more accurate and realistic simulations of coagulation dynamics. As indicated by the simulation, the importance of fluid shear rate to particle coagulation is reduced according to the curvilinear model compared to that previously described with the rectilinear model. As particles increased in size, the role of shear rate in coagulation became even less significant according to the curvilinear view of particle collisions. The results of numerical simulations in terms of the evolution of particle size distributions compared reasonably well with the observations of the jar-test coagulation experiments, which suggested the applicability of the modeling system, including the modified curvilinear-fractal approach, established in the present study.     

小单元漂移室用放射源模拟老化的实验研究

BESⅢ 漂移室(DC)模型用1.85X109 Bq 55Fe 5.9keV X射线放射源作加速老化实验研究.测量了阳极丝电流I和55Fe 5.9keV X射线全能光电峰位随累积电荷量Q的变化,由此得到累积相当BESⅢ DC 5年全天候运行的电荷量(0.07 C/cm)后,漂移室小单元的阳极电流降为初始值的87%;老化率为R=－0.19%/(mC/cm)     

SU(3)simple group model and single top production at the e-γ colliders

In the framework of the SU(3) simple group model,we consider the single top quark production process e-γ→,νebt.We find that the correction effects on the process mainly come from the terms of the tree-level Wqq'couplings.In the reasonable parameter space of the SU(3) simple group model,the deviation of the total production cross section σtot from its SM value is larger than 5%,which might be detected in the future high energy linear e+e- coUider (LC) experiments.     

BESⅢ漂移室单元结构和丝层安排的设计与优化

介绍了BES Ⅲ漂移室单元结构的设计和丝层安排，讨论了如何设置斜丝倾斜角以及直、斜丝交界处存在的问题，并通过对漂移时间与距离关系的模拟优化了漂移室丝层半径.     

Dispersion Analysis and Compensation of Collinear Optical Parametric Chirped Pulse Amplification Systems

In an optical parametric chirped pulse amplification （OPCPA） laser system, residual phase dispersion should be compensated as much as possible to shorten the amplified pulses and improve the pulse contrast ratio. Expressions of orders of the induced phases in collinear optical parametric amplification （OPA） processes are presented at the central signal wavelength to depict a c/ear physics picture and to simplify the design of phase compensation. As examples, we simulate two OPCPA systems to compensate for the phases up to the partial fourth-order terms, and obtain flat phase spectra of 200-nm bandwidth at 1064nm and 90-nm at 800nm.     

染料敏化太阳能电池的制作工艺及光伏特性实验教学研究

以TiO2基染料敏化太阳能电池(Dye-Sensitized Solar Cells,简称DSSC)的制作及其光伏特性实验研究为例,开展了太阳能电池精品实验建设。实验制作了纳米TiO2基DSSC,研究了四氯化钛前处理对DSSC光电性能的影响,计算了DSSC的各性能参数并对其微结构进行了表征。通过精品实验的训练,学生所学的理论知识得到综合应用,学生的创新实践能力和科学思维得到了提高。