Molecular modeling study on surface,thermal, mechanical and gas diffusion properties of chitosan

The motivation of this work is to provide reliable and accurate modeling studies of the physical (surface, thermal, mechanical and gas diffusion) properties of chitosan (CS) polymer. Our computational efforts have been devoted to make a comparison of the structural bulk properties of CS with similar type of polymers such as chitin and cellulose through cohesive energy density, solubility parameter, hydrogen bonding, and free volume distribution calculations. Atomistic modeling on CS polymer using molecular mechanics (MM) and molecular dynamics (MD) simulations has been carried out in three dimensionally periodic and effective two dimensionally periodic condensed phases. From the equilibrated structures, surface energies were computed. The equilibrium structure of the films shows an interior region of mass density close to the value in the bulk state. Various components of energetic interactions have been examined in detail to acquire a better insight into the interactions between bulk structure and the film surface. MD simulation (NPT ensemble) has also been used to obtain polymer specific volume as a function of temperature. It is demonstrated that these V–T curves can be used to locate the volumetric glass transition temperature (T_g) reliably. The mechanical properties of CS have been obtained using the strain deformation method. Diffusion coefficients of O₂, N₂, and CO₂ gas molecules at 300 K in CS have been estimated. The calculated properties of CS are comparable with the experimental values reported in the literature. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1260–1270, 2007     

Influence of temperature on phosphorescence spectra of Pd-porphine in Shpol’skii matrices

We have studied the temperature dependence of the radiative deactivation of the Pd-porphine triplet states in Shpol’skii matrices in the temperature range 1.2–210 K. A substantial transformation of the phosphorescence spectra is observed as the temperature increases and is due to the inclusion of thermally activated Pd-porphine states in the radiative deactivation processes. The activation energy E_a of these Pd-porphine states is measured in matrices of n-octane and n-nonane. The splitting of the lowest quasidegenerate triplet state ΔE(T₂−T₁) is determined for planar and distorted conformations of the Pd-porphine macrocycle in the n-octane matrix as 40 and 57 cm⁻¹, respectively. The ability to use the temperature dependence of the phosphorescence properties of Pd-porphine to fabricate molecular thermometers for the low-temperature range is analyzed. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 4, pp. 460–464, July–August, 2007.     

Anomalies in the Absorption and Reflection of a High-Power Ultrashort Laser Pulse by a Plasma with a Solid-State Density

The patterns of absorption and reflection of an ultrashort laser pulse by a plasma with a solid-state density, which are realized in the mode of the normal skin effect, are studied. It is shown that a decrease in low-power pulse duration shorter than the period corresponding to the fundamental frequency of radiation leads to an increase in the absorption coefficient. If the pulse power is so high as to provide electron heating during a time shorter than the reciprocal fundamental frequency, nonlinear suppression of absorption takes place and the spectrum of the reflected radiation contains odd harmonics of the fundamental frequency.     

基于半导体材料的新型光纤温度传感器

提出利用全反射定律以半导体材料作为敏感器件的光纤温度传感器，着重阐述半导体材料的温度敏感特性及传感原理，介绍传感器构造，并给出初步实验方案。     

陈化温度和Fe/Zr配比对SO42-/Fe2O3-ZrO2固体超强酸结构与性能的影响

用低温陈化法制备了SO42 -/Fe2 O3 ZrO2 (简称SFZ)固体超强酸催化剂 ,用红外光谱 (IR)和X光衍射(XRD)对其结构进行了表征 ,并考察了它对合成癸二酸二正丁酯的催化性能 .IR谱显示 ,低温陈化的SFZ样品在10 70cm-1处吸收峰远强于常温陈化样品 .XRD分析则显示 ,在焙烧温度为 6 5 0℃、Fe/Zr为 2∶1时 ,低温陈化的样品出现了亚稳态的ZrO2 四方晶相 .该样品在催化酯化反应中使产率达 90 %以上 ,高于常温陈化样品的 30 % .研究结果表明 :在其他条件不变时 ,低温陈化所出现的亚稳态的ZrO2 四方晶相是表面酸性和催化活性增加的微观原因     

Electrical characterization of low temperature deposited TiO2 films on strained-SiGe layers

Thin films of titanium dioxide have been deposited on strained Si_0.82Ge_0.18 epitaxial layers using titanium tetrakis-isopropoxide [TTIP, Ti(O-i-C₃H₇)₄] and oxygen by microwave plasma enhanced chemical vapor deposition (PECVD). The films have been characterized by X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). Dielectric constant, equivalent oxide thickness (EOT), interface state density (D_it), fixed oxide charge density (Q_f/q) and flat-band voltage (V_FB) of as-deposited films were found to be 13.2, 40.6 Å, 6×10¹¹ eV⁻¹ cm⁻², 3.1×10¹¹ cm⁻² and −1.4 V, respectively. The capacitance–voltage (C–V), current–voltage (I–V) characteristics and charge trapping behavior of the films under constant current stressing exhibit an excellent interface quality and high dielectric reliability making the films suitable for microelectronic applications.     

Temperature factor effect on the structure of the separated flow within a supersonic gas stream

The effect of the temperature factor, that is, the ratio of the body temperature to the freestream stagnation temperature, on the structure of the separated flow formed in the presence of a concave corner in a supersonic stream is studied. The strong influence of the temperature factor on the separation zone length and the flow-generated aerodynamic characteristics is established. It is shown that for fairly large deflection angles this flow cannot be described by free interaction, or triple deck, theory.     

Rheological properties of polyacrylates used as synthetic road binders

Most adhesives and binders, including bitumen for asphalt mixture production, are presently produced from petrochemicals after the refining of crude oil. The fact that crude oil reserves are a finite resource means that in the future, it may become necessary to produce these materials from alternative and probably renewable sources. Suitable resources of this kind may include polysaccharides, plant oils and proteins. This paper deals with the synthesis of polymer binders from monomers that could, in future, be derived from renewable resources. These binders consist of polyethyl acrylate (PEA) of different molecular weight, polymethyl acrylate (PMA) and polybutyl acrylate (PBA), which were synthesised from ethyl acrylate, methyl acrylate and butyl acrylate, respectively, by atom transfer radical polymerisation. The rheological properties of these binders were determined by means of oscillatory testing using a dynamic shear rheometer and combinations of stress/strain, temperature and frequency sweeps. The results indicate that PEA can be produced to have rheological properties similar to that of ‘soft’ 100/150 penetration grade bitumen, PMA with similar rheological properties to that of ‘hard’ 10/20 penetration grade bitumen, while PBA, due to its highly viscous nature and low dynamic moduli, cannot be used on its own as a binder. The synthetic polymers were found to be thermo-rheologically simple, and the shift factors, used to produce the dynamic moduli master curves, were found to fit an Arrhenius function.     

后退火温度对溅射沉积Pb(Zr0.52Ti0.48)O3铁电薄膜结构和性能的影响

在具有Ti缓冲层的Pt(111)底电极上,用射频溅射工艺在较低的衬底温度(370℃)和纯Ar气氛中沉积Pb(Zr0.52Ti0.48)O3(PZT)薄膜,沉积过程中基片架作15°摇摆以提高膜厚的均匀性。然后将样品在大气中进行5min快速热退火处理,退火温度550-680℃。用XRD、SEM分析薄膜的微结构,RT66A标准铁电测试系统测量样品的铁电和介电性能。结果表明,所沉积的Pt为(111)取向,仅当后退火温度高于580℃,沉积在Pt(111)上的PZT薄膜才能形成钙钛矿结构的铁电相,退火温度在580-600℃时结晶为(110)择优取向,退火温度高于600℃时结晶为(111)择优取向。PZT薄膜的极化强度随退火温度的升高而增加,但退火温度超过650℃时漏电流急剧上升,因此退火处理的温度对PZT薄膜的结构和性能有决定性的影响。     

氘代聚合物膜靶制备技术与性能研究

 氘代聚合物膜是快点火基础物理实验的一种重要靶型。通过氘代苯乙烯单体的本体自由基聚合反应制备氘代聚苯乙烯，并利用流延法和浇铸法制备出厚度从几十nm到数百μm的膜靶。溶剂挥发过程中的随机扰动对膜厚均匀性造成影响，采用清洁的基片和在涂沫基片或模具外加防护罩可以降低这种影响。采用PVA作脱膜剂有利于获得较薄的聚合物薄膜。DSC分析表明薄膜的玻璃化转变温度与热处理过程有关，缓慢退火有利于提高Ｔ-g和储能模量。