氧气催化氧化环己烷

本文系统综述了O₂氧化剂用于环己烷催化氧化体系的研究进展,包括金属配合物催化、金属纳米粒子催化、金属氧化物粒子催化、分子筛催化、碳材料催化、光促进催化、杂多酸催化、金属-有机骨架材料催化等。本文认为研究、开发以O₂为氧化剂,高活性高选择性的非均相环己烷催化氧化体系将成为今后环己烷催化氧化研究的主要方向,尤其是多金属甚至多元素复合体系。本综述不仅对开发高催化活性高选择性的环己烷催化氧化体系,改进目前工业上的环己醇环己酮制备工艺具有重要的参考价值,而且还对其他烃类C-H键和C-C键高效催化氧化体系甚至其他氧化体系的研究与开发也具有重要的参考价值。     

锌-稀土矩形纳米簇的构筑及近红外发光性能

本文设计了一个新型含苯-甲基-苯骨架的席夫碱配体,构筑了两个具有矩形结构的锌-稀土纳米簇[Ln₂Zn₂L₂(OAc)₆] (Ln = Yb (1)和Er (2))。该席夫碱配体以“伸展型”配位模式与稀土离子进行配位,使这些锌-稀土纳米簇表现出较大的分子尺寸结构(0.7 nm × 1.1 nm × 2.2 nm)。荧光性质研究表明,由Zn/L组成的发色基团能有效敏化1和2中Yb³⁺和Er³⁺离子的近红外发光。通过对荧光量子产率及寿命进行分析发现,Zn/L对Yb³⁺离子的传能效率要高于Er³⁺离子。     

分子动力学模拟研究外电场对咪唑类离子液体振动谱的影响

本文利用分子动力学模拟研究了外电场对咪唑类离子液体1-乙基-3-甲基咪唑六氟磷酸盐(EMIMPF₆)从0到4000 cm⁻¹范围内振动谱的影响。研究结果表明,在没有外电场时利用分子动力学模拟计算得到的从400到4000 cm⁻¹的振动带可以重现实验测得的谱。当外电场从0到9 V·nm⁻¹变化时,在50.0和199.8 cm⁻¹处的振动带强度持续增强然后趋于饱和,而从400到4000 cm⁻¹的振动带强度明显减弱并最终消失。此外,在外电场从0变到2 V·nm⁻¹时,50.0 cm⁻¹的振动带红移了16.7 cm⁻¹,然后当外电场变化到3 V·nm⁻¹及更大时,该振动带红移增大到33.3 cm⁻¹。在外电场从0变到3 V·nm⁻¹时,3396.6 cm⁻¹的振动带红移大约16.7 cm⁻¹,然后当外电场增大到4 V·nm⁻¹甚至更大时,该振动带红移33.3 cm⁻¹,但是从0到4000 cm⁻¹的其他振动带的位置几乎没有变化。基于对模拟结果和先前报道文献的进一步分析,对于50.0 cm⁻¹的振动带,增加的外电场增强了阳离子和阴离子之间的极性使阳离子和阴离子间的偶极矩增大,因此该振动带的强度不断增大然后达到饱和。对于199.8 cm⁻¹的振动带增加的外电场增强了乙基链的扭转,使该振动带的强度增大并达到饱和。对于从400到4000 cm⁻¹的其他振动带,增加的外电场使EMIMPF₆中的阳离子和阴离子的取向更一致,并且可以推测这种更一致的取向可能会削弱振动带的强度甚至使它们消失。50.0 cm⁻¹处振动带的红移可能是由于外电场破坏了EMIMPF₆内部的静电场分布进而减弱了阳离子和阴离子间的相互作用。3396.6 cm⁻¹处振动带的红移可归功于外电场减弱了氮原子与阳离子咪唑环上酸性氢原子间形成的氢键的拉伸振动。对于其他的振动带,由于官能团固有的拉伸、弯曲、转动振动不受外电场的影响,外电场没有改变振动带的位置。     

An Optimized Quantum Representation for Color Digital Images

With the continuous development of quantum computation, quantum mechanics has been widely exploited to meet the storage requirement of high definition image. In this paper, an optimized quantum representation for color digital images (OCQR) is proposed, which makes full use of quantum superposition characteristic to store the RGB value of every pixel. Compared with latest novel quantum representation of color digital images (NCQI), OCQR uses nearly one-third times the qubits to store the pixel value. Meanwhile, some image processing operations related to color information can be executed more simultaneously and conveniently based on OCQR. Therefore, the proposed OCQR model is better suited to represent the quantum color image.     

Effects of variable specific heat on energy transfer in a high-temperature supersonic channel flow

An energy transfer mechanism in high-temperature supersonic turbulent flow for variable specific heat (VSH) condition through turbulent kinetic energy (TKE), mean kinetic energy (MKE), turbulent internal energy (TIE) and mean internal energy (MIE) is proposed. The similarities of energy budgets between VSH and constant specific heat (CSH) conditions are investigated by introducing a vibrational energy excited degree and considering the effects of fluctuating specific heat. Direct numerical simulation (DNS) of temporally evolving high-temperature supersonic turbulent channel flow is conducted at Mach number 3.0 and Reynolds number 4800 combined with a constant dimensional wall temperature 1192.60 K for VSH and CSH conditions to validate the proposed energy transfer mechanism. The differences between the terms in the two kinetic energy budgets for VSH and CSH conditions are small; however, the magnitude of molecular diffusion term for VSH condition is significantly smaller than that for CSH condition. The non-negligible energy transfer is obtained after neglecting several small terms of diffusion, dissipation and compressibility related. The non-negligible energy transfer involving TIE includes three processes, in which energy can be gained from TKE and MIE and lost to MIE. The same non-negligible energy transfer through TKE, MKE and MIE is observed for both the conditions.     

ZONAL DISINTEGRATION MECHANISM OF DEEP CRACK-WEAKENED ROCK MASSES UNDER DYNAMIC UNLOADING

Size and quantity of fractured zone and non-fractured zone are controlled by cracks contained in deep rock masses. Zonal disintegration mechanism is strongly dependent on the interaction among cracks. The strong interaction among cracks is investigated using stress superposition principle and the Chebyshev polynomials expansion of the pseudo-traction. It is found from numerical results that crack nucleation, growth and coalescence lead to failure of deep crack- weakened rock masses. The stress redistribution around the surrounding rock mass induced by unloading excavation is studied. The effect of the excavation time on nucleation, growth, interaction and coalescence of cracks was analyzed. Moreover, the influence of the excavation time on the size and quantity of fractured zone and non-fractured zone was given. When the excavation time is short, zonal disintegration phenomenon may occur in deep rock masses. It is shown from numerical results that the size and quantity of fractured zone increase with decreasing excavation time, and the size and quantity of fractured zone increase with the increasing value of in-situ geostress.     

重离子治疗装置同步加速器高频控制系统研制

重离子治疗对病灶周围健康组织损伤最小,对癌细胞杀伤效果最佳,是当代公认的先进有效的放疗方法。重离子Bragg峰与束流能量的关系要求重离子束能够在不同的能量间切换,需要加速器实现变能量加速。变能量加速的关键系统是同步加速器高频计算机控制系统;要求该系统能够根据光触发事例自动更换加速波形文件。该系统主要由三块基于PXI总线的FPGA板卡组成,采用了SOPC、DSP等技术,实现了波形文件的接收、插值及输出等功能。目前,控制系统经过长期稳定性试验,指标完全满足重离子治疗要求。Heavy ion therapy is the most advanced and effective method of radiotherapy. Because it has the advantage that it has minimal damage to surrounding healthy tissue and the greatest cancer celling killing effect. The relationship between heavy ion Bragg peak and beam energy requires the accelerator to switch the beam between different energy. The PXI RF control system plays an important role in Heavy Ion Medical Machine(HIMM). It can automatically change the waveform files according to the optical event. The system is mainly consisted by three FPGA cards, based on PXI bus, and mainly use the technology such as SOPC, DSP and so on. The PXI RF control system for HIMM has been tested through a long-term stability experiments, the system meets the proposed requirements.     

Erbium-doped fiber ring laser sensor for high temperature measurements based on a regenerated fiber Bragg grating

This article presents an erbium-doped fiber ring laser for high temperature measurement with high accuracy. The proposed laser sensor employs a regenerated fiber Bragg grating (RFBG) as a sensor element. Through thermal treatments, the RFBG with enhanced thermal resistance was obtained. The laser emission optical spectrum presents good performance with a high optical signal-to-noise ratio of 58dB. Experimental results demonstrate a wavelength sensitivity to the temperature is 15.5 pm/ºC with the temperature range from 300ºC to 900ºC, and the correlation coefficient is 0.999. The results prove it is able to provide potential applications in high temperature measurement.     

3D Nanostructured Polypyrrole/Sodium Alginate Conducting Hydrogel from self-assembly with High Supercapacitor Performance

Due to their possible ideal three dimensional (3D) nanostructures and excellent electrochemical properties, conducting hydrogels have attracted much attention in recent years. Herein, pyrrole monomer was directly dissolved in an aqueous solution of sodium alginate (SA), and was allowed to undergo in-situ polymerization to form polypyrrole (Ppy), resulting in formation of Ppy/SA, a conducting hydrogel, via self-assembly between the polymers. Observation by SEM indicated that the microstructure of the Ppy/SA hydrogel was a typical 3D nano-cylinder network, with the cylinders formed by entanglements of the Ppy and SA molecular chains (cylinder diameter was ～100 nm). The electrochemical measurements of cyclic voltammetry, galvanostatic charge/discharge and electrochemical impedance spectroscopy indicated that the Ppy/SA hydrogel possessed typical pseudocapacitance, good charging and discharging rate performance, and favorable capacitive behavior; the specific capacity reached up to 249 F/g at the current density of 0.2 A/g. We suggest it has great potential in the field of high-performance electrode materials for supercapacitors.     

The effect of blade vibration on the nonlinear characteristics of rotor–bearing system supported by nonlinear suspension

In this paper, the complicated nonlinear dynamics of the harmonically forced quasi-zero-stiffness SD (smooth and discontinuous) oscillator is investigated via direct numerical simulations. This oscillator considered that the gravity is composed of a lumped mass connected with a vertical spring of positive stiffness and a pair of horizontally compressed springs providing negative stiffness, which can achieve the quasi-zero stiffness widely used in vibration isolation. The local and global bifurcation analyses are implemented to reveal the complex dynamic phenomena of this system. The double-parameter bifurcation diagrams are constructed to demonstrate the overall topological structures for the distribution of various responses in parameter spaces. Using the Floquet theory and parameter continuation method, the local bifurcation patterns of periodic solutions are obtained. Moreover, the global bifurcation mechanisms for the crises of chaos and metamorphoses of basin boundaries are examined by analysing the attractors and attraction basins, exploring the evolutions of invariant manifolds and constructing the basin cells. Meanwhile, additional nonlinear dynamic phenomena and characteristics closely related to the bifurcations are discussed including the resonant tongues, jump phenomena, amplitude–frequency responses, chaotic seas, transient chaos, chaotic saddles, and also their generation mechanisms are presented.