Numerical simulation and structure optimization of a liquid–vapor separation plate condenser

Journal of Thermal Analysis and Calorimetry - Based on innovative design, a liquid–vapor separation plate condenser with excellent heat transfer performance is invented. It takes less time to...     

An improved phase retrieval algorithm for optical aspheric surface measurement

In order to overcome the measurement and calculation difficulty for aspheric surface with phase retrieval technology, an improved phase retrieval algorithm was proposed. Due to significant departure from sphere surface, reflected light from different part of the aspheric surface under test will overlap in some areas in the collected images by CCD with general phase retrieval measurement setup, which will lead to the failure to recover the surface phase. The proposed algorithm will only use those areas without light overlapping in each image in the iteration process and employ several defocused images to recover the whole surface. This algorithm can improve the measurement range for aspheric surface with phase retrieval technology. The experimental system was established and a 180 mm diameter, f/1.6 parabolic mirror and a 180 mm effective diameter, f/1.33 hyperboloid mirror were tested by the proposed method. The experimental results show that the retrieved surface errors are in good consistent with that obtained by interferometer, which confirms the validity of the proposed algorithm.     

Surface-enhanced Raman spectroscopy and density functional theory study on 4,4'-bipyridine molecule

The molecular geometry and vibrational frequencies of 4,4'-bipyridine (BPE) in the ground state were calculated using density functional theory (DFT) methods (B3LYP) with 6-31++G(d,p) basis set. The optimized geometric bond lengths and bond angles are obtained by DFT employing the hybrid of Beckes non-local three parameter exchange and correlation functional and Lee-Yang-Parr correlation functional. Fourier transform infrared (FT-IR), Fourier transform Raman (FT-Raman) and near-infrared surface-enhanced Raman scattering (NIR-SERS) spectra of BPE on the silver foil substrate have been recorded. All FT-IR, FT-Raman and NIR-SERS band were assigned on the basis of the B3LYP/6-31++G(d,p) method. The vibrational frequencies obtained by DFT(3LYP) are in good agreement with observed results. The NIR-SERS of BPE excited by 1064nm laser line is little difference with that excited by visible laser line. This phenomenon is result to the increase of the contribution of CHEM enhancement effect. Surface selection rules derived from the electromagnetic enhancement model were employed to infer the orientations of BPE on the silver foil substrate surface. Some vibrational frequency which are sensitive to the planar or non-planar structure of BPE, and to the dihedral angle were concluded.     

Pyridine-based SNS-iridium and -rhodium sulfide complexes, including d8-d8 metal-metal interactions in the solid state

The cationic, pincer-type complexes [(SNS)Ir(COE)][BF4] (1) and [(SNS)Rh(COE)][BF4] (2) (SNS = 2,6-bis(t-butylthiomethy1)pyridine; COE = cyclooctene) complexes were prepared, and their structure and reactivity were studied. They are fluxional at room temperature as a result of "arm" hemilability, which can be frozen at low temperatures. Reaction of complex 1 with H2 resulted in a dimeric dihydride complex [(SNS)Ir(H2)]2[BF4]2 (3) in which the sulfur atoms bridge between two metal centers. The Rh complex 2 did not react with H2. Both the carbonyl complexes [(SNS)Ir(CO)][BF4] (5) and [(SNS)Rh(CO)][BF4] (6) show differences in the IR stretching frequencies in solution vs. solid states, which are a result of uncommon metal-metal interactions between square planar d8 systems in the solid state. Complexes 1, 3, 5 and 6 were structurally characterized by X-ray crystallography. A network of hydrogen bonds involving the BF4(-) counter anion and hydrogen atoms of complex 5 was observed.     

熔锥型熊猫光纤耦合器的传输特性分析

熔锥型保偏耦合器的传输特性决定了其光学原理与功能的实现。为了从理论上分析各参量对保偏耦合器传输特性的影响,基于热-结构-电磁多物理场耦合理论,建立了熔锥型熊猫光纤耦合器双锥模型,应用有限元法,分析了各参量对熊猫光纤耦合器传输特性的影响。结果表明应力区与包层折射率差影响耦合区纵向电磁场的分布,折射率差越大,纵向电磁场分布的变形也越大;HE1x1模和HEy11模的传播常量对偏振主轴角度差不敏感,偏振主轴角度差是通过耦合系数进而影响保偏光纤耦合器的消光比的;HE1x1模的传播常量对熔锥的熔锥区横截面椭圆率比较敏感,横截面椭圆率变化6.67%时Δβx11变化0.14%,计算结果表明当熔锥区横截面椭圆率为0.56时可获得较高性能的耦合器。