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931.
在水相中电沉积制备得到了聚乙撑二氧噻吩(PEDOT)导电聚合物膜,研究了沉积电量、沉积电位等因素对聚合物膜的电化学活性及其在水溶液中检测吗啡的电化学响应的影-向.结果表明.沉积电量为20~40mC,沉积电位为1.2V(相对于Ag/AgCl电极)时所得的聚合物膜对吗啡具有最高的电化学响应.在此基础上,研究了PEDOT膜修饰电极在不同浓度的吗啡水溶液中的电化学检测,发现在0.05~6mmol·L^-1浓度范围内具有很好的线性响应.最低检测限为0.05mmol·L^-1,相关系数达0.995. 相似文献
932.
In the SU(3) simple group model, the new neutral gauge boson Z' couples to pairs of SM fermions with couplings fixed in terms of the SM gauge couplings and depending only on the choice of the fermion embedding. In this paper, we calculate the contributions of this new particle to the processes e^+e^-→l^+l^-, bb^-, and cc^- and study the possibility of detecting this new particle via these processes in the future high-energy linear e^+e^- collider(LC) experiments with √s= 500 GeV and £int= 340 fb^-1. We find that the new gauge boson Z' is most sensitive to the process e^+e^-→b^+b^-. As long as Mz,≤2 TeV , the absolute values of the relative correction parameter are larger than 5%. We calculate the forward-backward asymmetries and left-right asymmetries for the process e^+e^-→c^+c^-, with both the universal and anomaly-free fermion embeddings. Bounds on Z' masses are also estimated within 95% confidence level. 相似文献
933.
XUN Jing NING Bin LI Ke-Ping 《理论物理通讯》2009,51(4):595-599
In this paper, we propose a new cellular automata model to simulate the railway traffic at station. Based on NaSch model, the proposed station model is composed of the main track and the siding track. Two different schemes for trains passing through station are considered. One is the scheme of "pass by the main track, start and stop by the siding track". The other is the scheme of "two tracks play the same role". We simulate the train movement using the proposed model and analyze the traffic flow at station. The simulation results demonstrate that the proposed cellular automata model can be successfully used for the simulations of railway traffic. Some characteristic behaviors of railway traffic flow can be reproduced. Moreover, the simulation values of the minimum headway are close to the theoretical values. This result demonstrates the dependability and availability of the proposed model. 相似文献
934.
HOU Feng-Yao JIANG Yu SUN Wei-Min ZONG Hong-Shi 《理论物理通讯》2009,51(3):499-505
In this paper, we give a direct method for calculating the partition function, and hence the equation of state (EOS) of QCD at finite chemical potential and zero temperature. In the EOS derived in this paper the pressure density is the sum of two terms: the first term P(μ)|μ=0 (the pressure density at μ = 0) is a μ-independent constant; the second term, which is totally determined by G[μ] (p) (the dressed quark propagator at finite μ), contains all the nontrivial μ-dependence. By applying a general result in the rainbow-ladder approximation of the Dyson-Schwinger approach obtained in our previous study [Phys. Rev. C 71 (2005) 015205], G[μ](p) is calculated from the meromorphic quark propagator proposed in [Phys. Rev. D 67 (2003) 054019]. From this the full analytic expression of the EOS of QCD at finite μ and zero T is obtained (apart from the constant term P(μ)|μ=0, which can in principle be caJculated from the CJT effective action). A comparison between our EOS and the cold, perturbative EOS of QCD of Fraga, Pisarski and Schaffner-Bielich is made. It is expected that our EOS can provide a possible new approach for the study of neutron stars. 相似文献
935.
Predicting Rate Constants for Nucleophilic Reactions of Amines with Diarylcarbenium Ions Using an ONIOM Method 下载免费PDF全文
The rate constants of the nucleophilic reactions between amines and benzhydrylium ions were calculated using first-principles theoretical methods. Solvation models including PCM, CPCM, and COSMORS, as well as different types of atomic radii including UA0, UAKS, UAHF, Bondi, and UFF, and several single-point energy calculation methods (B3LYP, B3P86, B3PW91, BHANDH, PBEPBE, BMK, M06, MP2, and ONIOM method) were exam-ined. By comparing the correlation between experimental rate constants and the calculated values, the ONIOM(CCSD(T)/6-311++G(2df,2p):B3LYP/6-311++G(2df,2p))// B3LYP/6-31G(d)/PCM/UFF) method was found to perform the best. This method was then employed to calculate the rate constants of the reactions between diverse amines and diarylcarbenium ions. The calculated rate constants for 65 reactions of amines with diarylcarbenium ions are in agreement with the experimental values, indicating that it is feasible to predict the rate constant of a reaction between an amine and a diarylcarbenium ion through ab initio calculation. 相似文献
936.
937.
采用密度泛函理论研究了H2在碱金属(M=Li, K)掺杂的扶手椅型单壁碳纳米管上的吸附. 对于碱金属管内掺杂, 模拟了4种氢吸附构型; 对于管外掺杂, 考虑了两种吸附结构, 同时还考虑了两种不同的掺杂浓度. 所有吸附模型都进行了全优化. 计算结果表明, 碱金属掺杂后, 碱金属与碳纳米管之间发生电子授受作用使得碱金属带正电荷, 对于金属Li, 管内掺杂更有利于电子向碳纳米管转移; 与管内掺杂相比, Li原子的管外掺杂更有利于H2分子吸附. 碱金属管外掺杂的碳纳米管吸附H2的最稳定结构, 存在碱金属原子与H2分子的配位作用. 相似文献
938.
The influence of the ultra-short pulse wavelength on the populations in the three electronic states of CsI molecule is investigated using the time-dependent wave packet method. The calculated results show that the populations in the two excited states approach to the maxima at the wavelengths of 369 nm and 297 nm, respectively. The photodissociation reaction channels of the CsI molecule can be chosen by controlling the pump pulse wavelength. 相似文献
939.
940.
(Na, K)NbO3 (KNN) powders were successfully prepared by high temperature mixing method (HTMM) under hydrothermal conditions to study the effect of reaction time on the formation of KNN for three K+/(K+ +Na+) ratios of 0.6, 0.7 and 0.8. The products were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED), to show the change of phase and morphology of the as-prepared particles with the K+/(K+ + Na+) molar ratio in the solution. Pure Na-rich KNN monoclinic phase and pure K-rich KNN orthorhombic phase could be obtained quickly after mixing the solutions at high temperature when the K+/(K+ +Na+) molar ratio was either 0.6 or 0.8. When the K+/(K+ +Na+) molar ratio was 0.7, however, the K-rich KNN orthorhombic phase grain formed first, followed by the Na-rich KNN monoclinic phase grain, with the two phases coexisting in the final product. 相似文献