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Quantum trajectories in atom-surface scattering with single adsorbates: the role of quantum vortices
In this work, a full quantum study of the scattering of He atoms off single CO molecules, adsorbed onto the Pt(111) surface, is presented within the formalism of quantum trajectories provided by Bohmian mechanics. By means of this theory, it is shown that the underlying dynamics is strongly dominated by the existence of a transient vortitial trapping with measurable effects on the whole diffraction pattern. This kind of trapping emphasizes the key role played by quantum vortices in this scattering. Moreover, an analysis of the surface rainbow effect caused by the local corrugation that the CO molecule induces on the surface, and its manifestation in the corresponding intensity pattern, is also presented and discussed. 相似文献
24.
批量离子交换层析和凝胶过滤层析在类人胶原蛋白I纯化中的应用 总被引:3,自引:0,他引:3
研究了利用批量离子交换层析与凝胶过滤层析相结合的方法纯化类人胶原蛋白I的最佳条件。分别考察了不同离子交换树脂、缓冲溶液pH、离子强度、进料蛋白浓度对批量离子交换的影响,以及不同凝胶过滤介质对凝胶过滤层析的影响。结果表明,采用阴离子交换树脂DEAE52吸附杂蛋白,缓冲液pH为7.0,NaCl浓度为0.2mol/L,进料蛋白浓度为40mg/mL,并采用凝胶过滤介质SephadexG-100进一步纯化后,类人胶原蛋白I的纯度可达到98.2%,总纯化倍数为3.1,总回收率为80.6%。SDS-PAGE分子量分析和N末端氨基酸序列分析均表明纯化后的类人胶原蛋白I与基因设计一致。 相似文献
25.
锂离子电池负极合金CoSn和Cu-Sn的制备与表征 总被引:9,自引:0,他引:9
CoSn alloy and Cu-Sn samples were synthesized by H2-reduction following solid-state reaction between Co(Ⅱ), Cu(Ⅱ), Sn(Ⅳ) and NaOH at ambient temperature. The samples were characterized by XRD, SEM. The results showed that CoSn alloy (80~200nm) is globe-shaped, ultrafine hexagonal material, and Cu-Sn alloy powder consists of two phases, i.e. Cu6Sn5 and Cu3Sn. Cu-Sn powder has spherical morphology and the particle size is estimated to be 60~70nm. The electrochemical performances of CoSn alloy and Cu-Sn powder were studied using lithium-ions model cell Li/LiPF6 (EC+DMC)/CoSn (or Cu-Sn). It was demonstrated the reversible discharge capacities for 10 cycles keep above 280mAh·g-1 for nanophase Cu-Sn, and 60mAh·g-1 for CoSn alloy. Differ-ential capacity plots showed that the reaction mechanisms of Cu-Sn with lithium were reversible. 相似文献
26.
利用相关函数-超球谐-广义Laguerre函数方法,研究He原子^3S态波函数向超球谐函数展开的收敛行为。截止于l=0,1,2的超球谐函数给出的本征能分别与组态相互作用的s-,sp-,spd-极限能一致。仅用44个超球谐函数,便得到了与精确的HylleraasCI变分能量小数点后第5位的2^3S,3^3S的4^3S态本征能吻合。 相似文献
27.
高密度燃料HDF-1与橡胶的相容性研究 总被引:3,自引:0,他引:3
报道了在室温和70 ℃下橡胶材料G402氟硅胶、丁腈胶5171、丁腈胶4170、贮囊橡胶用合成的高密度燃料HDF-1浸泡后性能如伸长率、邵尔硬度、重量、面积体积的变化,并与采用3号喷气燃料(RP-3)实验结果进行对照。用红外光谱测定了燃料浸泡前后橡胶组成的变化。实验结果表明,G402氟硅胶和贮囊对于HDF-1和RP-3有相近的相容性,丁腈胶5171对HDF-1的相容性比对RP-3的相容性稍差,丁腈胶4170对HDF-1的相容性比对RP-3的相容性更差的结果。因此,丁腈胶5171和丁腈胶4170不能用于HDF-1储存和输送,原使用RP-3系统的橡胶密封件不能直接使用HDF-1。 相似文献
28.
In this paper we study theoretically the molecular structure of [Be(C5Me5)2], with special interest in similarities and differences found in the computed geometric parameters, depending on the treatment of the electron correlation used. Given the low energy differences found between the different configurations studied (less than 4 kcal mol−1), and the high fluxionality found in experimental studies for this compound, we analyzed the dynamics of the system by means of first principles molecular dynamics calculations. A complex dynamics is found and analyzed in terms of two molecular rearrangement processes: 1,2-sigmatropic intraring rearrangement and a ring inversion mechanism that interchanges the roles (with regard to their coordination to the central Be atom) of the two rings.Dedicated to Dr. Jeal Paul Malrieu on occasion of his 65th birthday. 相似文献
29.
The dispersion of the quantitative results in the analysis of volatile compounds from multicomponent mixtures by different fractionation techniques (solid-phase microextraction and direct thermal desorption) followed by GC or GC-MS presents nonrandom patterns related to the existence of different factors in the fractionation process or in the chromatographic separation which affect, to a different extent, the recovery of the sample components. Statistical techniques have been used to show the relative importance of these factors. The improvement in data precision achieved by using volatile compound concentration ratios is discussed. 相似文献
30.
Susana Cabredo Pinillos Jesú s Sanz Asensio Javier Galb n Bernal 《Analytica chimica acta》1995,300(1-3):321-327
This paper describes a method for the simultaneous determination of As(III), Sb(III) and Se(IV) by combining hydride generation and gas phase molecular absorption spectrometry. A system for continuous hydride generation has been designed and developed, based on the use of a double process of gas-liquid separation, and optimal compromise operation conditions for the three compounds have been found. After generation, the hydrides are collected in a liquid nitrogen cryogenic trap, and then evaporated and driven to the flow cell of a diode array spectrophotometer, in which the transient signals over the 190–250 nm wavelength interval are measured. Under the recommended conditions (sample flow: 35 ml min−1, 0.5 M HCl; reductor flow: 4 ml min−1 of 4% NaBH4, solution) linear response ranges above 50 μg 1−1 for As(III), 30 μg 1−1 for Sb(III) and 200 μg 1−1 for Se(IV) are obtained with detection limits of 22 μg 1−1, 15 μg 1−1 and 65 μg 1−1, respectively. Multiwavelength linear regression equations were used for the simultaneous determination of the three elements in different synthetic samples, with good precision and accuracy and to study simultaneously the interference from different chemical species for the three compounds. Results were similar to those obtained by other techniques using hydride generation. 相似文献