Ruthenium/TiO2-Catalyzed Hydrogenolysis of Polyethylene Terephthalate: Reaction Pathways Dominated by Coordination Environment

Polyethylene terephthalate (PET) hydrogenolysis can produce benzene, toluene, and xylene (BTX), where the selectivity control is challenging. We report a reaction pathway dictated by the Ru coordination environment by examining the binding geometries of adsorbates on differently coordinated Ru centers and their evolution during PET hydrogenolysis. A BTX yield of 77 % was obtained using a Ru/TiO₂ with a Ru coordination number of ca. 5.0 where edge/corner sites are dominant, while more gas and saturated products were formed for Ru/TiO₂ containing primarily terrace sites. Density functional theory and isotopic labelling revealed that under-coordinated Ru edge sites favor “upright” adsorption of aromatic adsorbates while well-coordinated Ru sites favor “flat-lying” adsorption, where the former mitigates ring hydrogenation and opening. This study demonstrates that reaction pathways can be directed through controlled reactant/intermediate binding via tuning of the Ru coordination environment for efficient conversion of PET to BTX.     

环境光对PE塑料薄膜近红外激光拉曼光谱的影响

探讨了环境光自然光和室内荧光灯光的存在,对PE透明塑料薄膜的近红外激光拉曼光谱的影响.研究表明不同的环境光,会对近红外拉曼光谱产生不同的明显特征峰.自然光干扰产生的是以倒峰群形式为主,而室内荧光灯光造成的干扰主要以尖锐的脉冲峰形式.虽干扰表现形式不同,但都有严重地影响,在测定时一定要引起重视,不能忽略.建议在进行透明塑料近红外拉曼光谱检测时,须在暗室或暗罩遮光保护中进行,以完全隔离环境光的影响.     

Stress and strain fields in rotating elastic/plastic annular disks of pressure-dependent material

The Drucker–Prager yield criterion is used in conjunction with its associated flow rule to find the elastic/plastic stress and strain distributions within the rotating annular disks under plane stress conditions. The main distinguished feature of the model, as compared to typical models used for analysis of disks, is that the material is plastically compressible. Using an approach proposed elsewhere, the solution for strain rates is reduced to one nonlinear ordinary differential equation and two linear ordinary differential equations. These equations can be solved one by one, which significantly simplifies the numerical treatment and increases the accuracy of solution.     

Elastic consequences of a single plastic event: Towards a realistic account of structural disorder and shear wave propagation in models of flowing amorphous solids

Shear transformations (i.e., localized rearrangements of particles resulting in the shear deformation of a small region of the sample) are the building blocks of mesoscale models for the flow of disordered solids. In order to compute the time-dependent response of the solid material to such a shear transformation, with a proper account of elastic heterogeneity and shear wave propagation, we propose and implement a very simple Finite-Element (FE)-based method. Molecular Dynamics (MD) simulations of a binary Lennard–Jones glass are used as a benchmark for comparison, and information about the microscopic viscosity and the local elastic constants is directly extracted from the MD system and used as input in FE. We find very good agreement between FE and MD regarding the temporal evolution of the disorder-averaged displacement field induced by a shear transformation, which turns out to coincide with the response of a uniform elastic medium. However, fluctuations are relatively large, and their magnitude is satisfactorily captured by the FE simulations of an elastically heterogeneous system. Besides, accounting for elastic anisotropy on the mesoscale is not crucial in this respect.The proposed method thus paves the way for models of the rheology of amorphous solids which are both computationally efficient and realistic, in that structural disorder and inertial effects are accounted for.     

新型聚合物固体电解质的红外光谱研究

采用微波热交联技术制备出了多孔状的聚偏氟乙烯 /聚甲基丙烯酸甲酯 (PVDF PMMA)共混的聚合物固体电解质薄膜材料 ,电性能测试表明该固体电解质薄膜在室温下的电导率可达到 2 0 5× 10 - 3S·cm- 1 ,并具有良好的机械性能。用红外光谱对该膜进行了分析 ,结果表明在聚合物固态电解质中的PVDF ,PMMA ,LiClO4 和γ 丁内指 (BL)之间并不是简单的混合 ,而是存在着某种相互作用 ,并且这种作用只有在生成聚合物固态电解质时 ,才明显地得到了加强。     

塑料光纤相位调制灵敏度的研究

研究了压电涂层PMMA纤芯塑料光纤中的相位调制.射频信号通过对光纤外层的压电涂层作用,使纤芯中产生应变,从而对光纤中的光信号进行相位调制.数值计算结果表明,与传统的石英光纤相比,PMMA塑料光纤的相位调制的灵敏度要高数十倍以上.     

Structure of Plastic Crystalline Succinonitrile: High‐Resolution in situ Powder Diffraction

The temperature dependent (150–290 K) crystal structure of the low‐temperature α‐phase, and high temperature β‐phase, of succinonitrile has been determined by high resolution in situ powder diffraction. The α‐phase has a monoclinic unit cell that contains four gauche molecules and belongs to the P2₁/a space group. The crystal undergoes a reversible first‐order phase transition at 233 K into the high temperature β‐phase. The lattice parameters increase with temperature and the phase transition leads to an abrupt 6.7 % increase in volume. The β‐phase crystallizes into a bcc‐structure that belongs to the space group. The high temperature phase; however, is a highly disordered plastic crystal at room temperature that contains both gauche and trans molecules. The non‐linearity in the overall isotropic temperature‐factor indicates other possible phase transitions in the temperature range of 233–250 K.     

Production of valuable hydrocarbons by catalytic degradation of a mixture of post-consumer plastic waste in a fluidized-bed reactor

A mixture of post-consumer plastic waste (PE/PP/PS/PVC) was pyrolyzed over various catalysts using a fluid catalytic cracking (FCC) process operating isothermally at ambient pressure. Experiments with various catalysts gave good yields of valuable hydrocarbons with differing selectivity in the final products dependent on reaction conditions. A model based on kinetic and mechanistic schemes for the observed products associated with chemical reactions and catalyst deactivation has been developed. The model gives a good representation of experimental results. It is also an improvement on the currently available empirical “lumping” techniques which are usually severely restricted in terms of product definitions. Additionally, this model represents the benefits of product selectivity for the chemical composition in relation to the effect of structurally different catalyst types, and the performance of the reaction temperature used as well as the particle size of the catalyst selected.     

Soft matter lithium salt electrolytes: ion conduction and application to rechargeable batteries

Abstract  Soft matter provides diverse opportunities for the development of electrolytes for all solid state lithium batteries. Here we review soft matter solid electrolytes for lithium batteriesthat are primarily obtained starting from liquid electrolytic systems. This concept of solid electrolyte synthesis from liquid is significantly different from prevalent approaches. The novelty of our approach is discussed in the light of various fundamental issues and in relation to its application to rechargeable lithium batteries. Graphical abstract   M. Patel and S. K. Das have contributed equally to the work.     

Effect of water absorption on the plastic deformation behavior of nylon 6

The tensile behavior of nylon 6 films has been investigated in relation to water content. Modification of chain mobility in the amorphous phase via water plasticization appears to have a determining impact on the stress-strain response. More specifically, both yield stress value and hardening behavior over a large strain domain are strikingly equivalent for samples drawn at same ΔT between draw temperature T_d and main amorphous relaxation temperature T_α. This apparent lack of thermal activation of crystal plasticity in the fibrillar transformation suggests that crystal block fragmentation proceeds via H-bond unzipping through water penetration at defective crystal interfaces.