Compressive-tensile fatigue behavior of cords/rubber composites

Cord/rubber composites are used to build complex structures which may be submitted to cyclic loads, sometimes leading to critical fatigue failure. The focus of this study is to investigate the cyclic compressive/tensile strain behavior of polyester, polyamide and hybrid polyaramid/polyamide cords. For that, the cords were embedded in rubber belts to be used in a specially designed rotating pulley equipment that allows monitoring and controlling of tensile force, frequency and strain level. All fatigue tests were performed using stress-control mode, and tensile residual strength of the cords was measured as a function of material type, number of cycles and compressive/tensile strain level. The results show that compressive and tensile cyclic strains decrease residual properties. Hybrid cords showed higher residual strength than polyester and polyamide cords when subject to high compressive strain or high number of cycles. Moreover, morphological evaluation indicated failure to be associated with microbuckling and extensive fibrillation.     

Analysis of fatigue behaviour of notched specimens made of fibreglass reinforced polyamide by means of a cohesive model

Fatigue tests until fracture of five notched specimens of short glass fibre reinforced polyamide, with a humidity of 2.5%, were carried out at 23, 28, 33, 38 and 43 °C. A correlation between the environmental temperature and the number of cycles to failure was established. Three different regions of strain were observed, namely, transient, steady-state and pre-failure. Strain and strain-rate during the creep-fatigue process revealed the existence of non-temperature dependent critical strains between these regions. The fractographic study performed after failure suggested the suitability of describing the stress distribution in the remnant ligament through a cohesive model. This is based on the observed fact that, at the crack tip, the matrix and the fibres debond, giving rise to crazing mechanisms so that the ultimate bearing ability of the material relies on the matrix. The calculations involved in the cohesive model were based on the information provided by the fractographic study and the real-time measurements of the crack growth by means of an infrared thermographic camera. Based on this methodology, the cohesive stress of the material was estimated. In a last stage, the surface roughness of the samples was determined after being tested, revealing a reliable correlation between the roughness and the fracture micromechanisms undergone by the underlying material. This correlation makes it possible to use the surface roughness of an in-service component as a parameter to evaluate the level of microstructural damage that it has experienced.     

Gas-phase cluster cations generated by direct laser ablation on AgBr/S mixture

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Unrestricted Hartree-Fock instabilities in semiempirical CNDO/S and INDO/S calculations of spin-spin coupling constants

It is shown that non-convergent calculations of the Fermi contact term of spin-spin coupling constants within the self-consistent and finite perturbation schemes used to solve the coupled Hartree-Fock equations, are originated in non-singlet Hartree-Fock instabilities of the closed-shell restricted Hartree-Fock wavefunction. In CNDO/S and INDO/S wavefunctions, where the electronic system response has been successfully reproduced, all investigated molecules containing MOs were found to be unstable. Results of spin-spin coupling constants are given and compared with experimental as well as FP and SOS INDO values.Part of a Ph.D. thesis (G.E.S.) to be presented to the University of Buenos Aires.Comisión de Investigaciones Científicas (CIC, Pcia. de Bs. As.) fellow.     

环丁酮光化学反应中S1/T1/S0交叉点的重要作用

势能面间的交叉在光化学反应中起着重要的作用 ,是由激发态反应物到基态产物发生无辐射跃迁的机制 .在本文中 ,我们用 CASSCF和态平均 CASSCF方法分别对环丁酮光化学反应的势能剖面及 S1,T1和 S0三个势能面间交叉进行了研究 .结果发现 ,基态和三态产物的形成是通过 S1,T1和 S0三个势能面交叉于同一区域 (称为 S1/T1/S0交叉点 )这一有效途径完成的 .　　60年代末 ,实验 [1－ 9]发现环丁酮和其它烷基酮 ,如丙酮、环戊酮的光化学反应机理很不一致 .主要体现在 ,i)环丁酮 (n,π态 )的α解离发生在 S1态势能面上 ,而其它烷基酮 (n,π态 …     

Designing novel nicotinic agonists by searching a database of molecular shapes

Summary We introduce an approach by which novel ligands can be designed for a receptor if a pharmacophore geometry has been established and the receptor-bound conformations of other ligands are known. We use the shape-matching method of Kuntz et al. [J. Mol. Biol., 161 (1982) 269–288] to search a database of molecular shapes for those molecules which can fit inside the combined volume of the known ligands and which have interatomic distances compatible with the pharmacophore geometry. Some of these molecules are then modified by interactive modeling techniques to better match the chemical properties of the known ligands. Our shape database (about 5000 candidate molecules) is derived from a subset of the Cambridge Crystallographic Database [Allen et al., Acta Crystallogr., Sect. B,35 (1979) 2331–2339]. We show, as an example, how several novel designs for nicotinic agonists can be derived by this approach, given a pharmacophore model derived from known agonists [Sheridan et al., J. Med. Chem., 29 (1986) 889–906]. This report complements our previous report [DesJarlais et al., J. Med. Chem., in press], which introduced a similar method for designing ligands when the structure of the receptor is known.     

HomologyPlot: Searching for homology to a family of proteins using a database of unique conserved patterns

Summary A new database of conserved amino acid residues is derived from the multiple sequence alignment of over 84 families of protein sequences that have been reported in the literature. This database contains sequences of conserved hydrophobic core patterns which are probably important for structure and function, since they are conserved for most sequences in that family. This database differs from other single-motif or signature databases reported previously, since it contains multiple patterns for each family. The new database is used to align a new sequence with the conserved regions of a family. This is analogous to reports in the literature where multiple sequence alignments are used to improve a sequence alignment. A program called Homology-Plot (suitable for IBM or compatible computers) uses this database to find homology of a new sequence to a family of protein sequences. There are several advantages to using multiple patterns. First, the program correctly identifies a new sequence as a member of a known family. Second, the search of the entire database is rapid and requires less than one minute. This is similar to performing a multiple sequence alignment of a new sequence to all of the known protein family sequences. Third, the alignment of a new sequence to family members is reliable and can reproduce the alignment of conserved regions already described in the literature. The speed and efficiency of this method is enhanced, since there is no need to score for insertions or deletions as is done in the more commonly used sequence alignment methods. In this method only the patterns are aligned. HomologyPlot also provides general information on each family, as well as a listing of patterns in a family.     

银金硫三元团簇的形成与光过程的硫金敏化

采用激光烧蚀银金硫混合物样品产生团簇离子,用飞行时间质谱仪检测的方法研究了银金硫三元团簇离子的形成。研究表明,银硫二元团簇、金硫二元团簇和银金硫三元团簇同时生成,主要系列有(Ag~2~n~+~1S~n~-~1)^+、(Ag~2~n~-~1S~n)^-、(Ag~2~nAuS~n)^+和(Ag~2~nAuS~n~+~1)^-。将其与感光乳剂中的金硫敏化中心相关联,指出正离子团簇和负离子团簇分别在曝光过程中起着光电子陷阱和正空穴陷阱的作用。     

Design of a modified three-rail shear test for shear fatigue of composites

There are various ways of determining the static in-plane shear properties of a fibre-reinforced composite. One of them is the standard three-rail shear test, as described in “ASTM D 4255/D 4255M The standard test method for in-plane shear properties of polymer matrix composite materials by the rail shear method”. This setup, however, requires drilling holes through the specimen. In this study, a new design based on friction and geometrical gripping, without the need of drilling holes through the composite specimen is presented. Quasi-static tests have been performed to assess the symmetry of the setup and the occurrence of buckling. Then, fatigue tests were done to assess the behaviour of the grips under fatigue loading conditions, yielding excellent results; the specimen fails under shear loading conditions in the loaded area. The material used to validate this setup was a carbon fabric-reinforced polyphenylene sulphide.

During fatigue, this material shows an increase in permanent deformation and a decrease in shear stiffness until a certain point in time, after which a drastic increase in deformation and temperature, higher than the softening temperature of the matrix occurs. Furthermore, the maximum value of the shear stress for fatigue with R=0 has a large influence on the fatigue lifetime.     

Ir2S3/ZnIn2S4催化下可见光诱导发生的烯烃/炔烃的高效硫氢化反应:Ir2S3的作用

C–S键的构建在化学中具有非常重要的意义.利用硫醇和烯烃/炔烃的硫氢化反应来构建C?S键是一种绿色、可持续和低成本的方法.本文以ZnCl2,InCl3,硫代乙酰胺为前驱体,在微量IrCl3存在条件下,通过一步溶剂热法制备得到了含有不同Ir摩尔比(0.5 mol％,1 mol％和2 mol％)的Ir2S3/ZnIn2S4...     

茜素S复合铋膜电极电催化还原氯霉素

本研究采用电化学法制备茜素S复合铋膜修饰玻碳电极,利用循环伏安法、差示脉冲伏安法(DPV)研究氯霉素在茜素S复合铋膜电极上的电化学行为,并对其电化学测试条件进行优化.在pH 7.0的KH2PO4-Na2HPO4缓冲溶液中,氯霉素在-0.63 V处产生一灵敏的不可逆还原峰,显示出复合铋膜对氯霉素的还原有很好的催化作用.D...     

‘Tail’ phenomenon and fatigue crack propagation of PC/ABS alloy

The fatigue crack propagation (FCP) behavior of the alloy of polycarbonate (PC) and acrylonitrile-butadiene-styrene (PC/ABS) is experimentally investigated in this paper. An improved compliance method is employed to measure the fatigue crack length and optical and scanning electron microscopes (SEM) are used to observe the features of crack tip deformation in situ. ‘Tail’ phenomenon has been observed at the initial stage of fatigue for each specimen, which is regarded as a reflection of the transition process of accumulation of damage and plastic deformation during FCP. The law of FCP from low to high crack growth rate (10⁻⁶-10⁻³ mm/cycle) is obtained and described with Paris law. Porous or dimple features govern the fatigue crack surfaces and coarse features have been seen on the crack surfaces with higher crack growth rate, while smooth features have been observed on the crack surfaces with lower crack growth rate. A stretched band appears when the crack growth transforms from lower to higher region of FCP rate.     

Multi-stage Ordered Mesoporous Carbon-graphene Aerogel-Ni3S2/Co4S3 for Supercapacitor Electrode

Transition metal sulfides have emerged as promising materials in supercapacitor. In this work, we firstly developed an interface-induced superassembly approach to fabricate NiS_x and CoS_x nanoparticles, which based on ordered mesoporous carbon-graphene aerogel composites for supercapacitor electrodes. The obtained multi-component superassembled nanoparticles-carbon matrix composites have controllable 3D porous structure of multi-stage composite. The two-dimensional graphene interlaced to form a 3D framework with large sponge-like pores, and then the graphene surface was loaded with mesoporous carbon with mesoporous pore size and vertical orientation. The composites display high specific capacitance of 958.1 F g⁻¹ at 0.1 A g⁻¹. The capacitance retains about 97.3 % after 3000 charging-discharging cycles at 2 A g⁻¹. These results indicate that the obtained OMC−GA−Ni₃S₂/Co₄S₃ is a promising material for electrochemical capacitors, which providing new technical methods and ideas for the research of new energy and analytical sensor materials in the fields of energy storage, photocatalysis, point-of-care testing devices and other fields.     

糠醛液相加氢用Mo改性Ni-B/TiO2-Al2O3(S)非晶态合金催化剂

以溶胶-凝胶法制备复合载体TiO2-Al2O3(S)负载非晶态Ni-B合金用于催化糠醛液相加氢反应, 并研究了Mo对催化剂的改性作用. 采用ICP(等离子发射光谱)、DSC(差示扫描量热)、N2吸附、TPR(程序升温还原)和TPD(程序升温脱附)等技术对催化剂进行了表征. 研究结果表明, 与单一氧化铝载体相比, 复合载体负载的Ni-B合金催化性能明显提高, 这是由于在同样的制备条件下, 复合载体负载的Ni-B中Ni含量更高, 同时TiO2分散到了γ-Al2O3的孔中, 堵住了部分细孔, 有利于产物糠醇扩散出来, 防止深度加氢. Mo能提高Ni-B/TiO2-Al2O3(S)的热稳定性, 增大Ni的负载量, 使部分氧化态物种变得易于被还原, 表面出现新的加氢活性中心, 并增加化学吸附中心数, 减弱吸氢强度, 因而显著提高了Ni-B/TiO2-Al2O3(S)的活性; Mo添加使Ni-B/TiO2-Al2O3(S)的平均孔径及总孔容均增大, 有利于产物糠醇扩散出来, 还能使糠醇更易从催化剂的表面脱附, 防止其深度加氢, 因而提高了糠醇的选择性. 当Mo含量为1.25%时, 糠醛转化率、糠醇选择性都达到了100%.     

高核Ag/S纳米团簇合成的研究进展

硫醇配体保护的高核银纳米团簇具有丰富的结构和性能, 在光致发光、 生物传感、 纳米材料等方面具有广阔的应用前景. 然而, 精确控制高核Ag/S纳米团簇的尺寸和结构面临着巨大的挑战, 构建高核Ag/S纳米团簇的可行策略也一直是人们关注的焦点. 近年来, 随着合成方法和表征技术的不断发展, 高核Ag/S纳米团簇的合成和性能研究方面均取得了显著的成就. 本文总结了含20个或以上Ag原子的Ag/S纳米团簇的合成方法(直接还原法、 阴离子模板法及配体交换法), 对部分高核Ag/S纳米团簇的结构进行了探讨, 并展望了未来研究的趋势.     

Structural analysis of lignin in chestnut wood by pyrolysis-gas chromatography/mass spectrometry

The goal of the study was to determine the percentage of lignin in chestnut wood and to characterize structurally this polymer by pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) according to a possible influence on ring shake defect. The sampling was performed in different sites of Lazio Region in Italy. Wood disks from trees with ring shake defect and without ring shake defect were selected and little amount of heartwood (1-2 g) sampled between 6th and 10th and between 11th and 15th annual growth ring were analyzed. The study allowed quantifying lignin content, which is in average 26% and syringyl/guaiacyl (S/G) ratio, which present an average value of 2.43. Belong the pyrolysis products of wood, the trees characterized by ring shake show a higher concentration of the phenol homosyringaldehyde respect to the healthy trees. There is not any evident difference in the products composition of pyrolysis in respect to trees’ age, especially the critical period of 12-14 years in which ring shake generally becomes more evident. The site of wood provenance is the higher factor of variability in the structure of lignin for many phenols.     

Chloro-propylene Sulfite as Electrolyte Additive for Li/S Batteries

Chloro-propylene sulfite (ClPS) was employed as electrolyte additive of Li/S batteries for the first time. Linear potential sweep test showed that the C1PS keeps high electrochemical stability even under the voltage of 5.0V. Being used as electrolyte additive in Li/S batteries, C1PS displayed an excellent property for self-discharge prohibition. With C1PS additive the Li/S cells' initial discharge capacity was 856.2 mAh·g-1 and 830.8 mAh·g-1 at the current density of 15 mA·g-1 and 30 mA·g-1, after 30 cycles the discharge capacities were contained at as high as 753.8 mAh·g-1 and 715.6 mAh·g-1. By means of infrared spectra, TG/DTA experiment and element content analysis the speculated reason of CIPS's novel function as additive was proposed.     

新颖五核Mo/Cu/S簇合物[MoOS3Cu4(α-MePy)6Br2]的合成及晶体结构

杂核金属含硫簇合物具有丰富的结构,在生物化学、催化和非线性光学等方面显示了诱人的应用前景.近年来,我们主要从事用[MS4 ]2 - 和[Cp* MS3]- ( M=Mo,W)和Cu( ) ,Ag( )反应合成Mo( W) /Cu( Ag) /S簇合物并研究其非线性光学性质[1,2 ] .鉴于用硫代金属酸盐作前驱体合成M- Cu- Ag- S杂三核金属簇合物的工作鲜有报道[3] ,我们尝试用( NH4 ) 2 Mo OS3和Cu Br,Ag Br在α- Me Py中反应,希望得到Mo- Cu- Ag- S杂三核金属簇合物.但上述反应却形成了1个仅含Mo和Cu( )的五核簇合物[Mo OS3Cu4 (α- Me Py) 6 Br2 ],其所含的Mo S3…     

Live retention database for identification of compounds in capillary gas chromatographic analysis --Principle and structure

A live retention database for compound identification in isothermal and any step temperature programmed capillary gas chromatography has been developed. The database utilizes the Kovats retention indices of compounds on a given stationary phase and the retention time of n-alkanes measured at isothermal conditions on the column to be used, together with the programming parameters. Identification is performed by search operation that compares the calculated results with the retention values of unknown peaks. Cross-reference of the search results of different operating conditions is performed automatically by the database in order to increase the reliability of the identification. The error of the database conversion is ≤± 0.5 index unit, or ≤± 1% on retention time. This paper describes the principle and the structure of the database in detail. The experimental results for different calsses of compounds tested at divers operating conditions will be presented in Part Ⅱ.