A reactive molecular dynamics model of thermal decomposition in polymers: I. Poly(methyl methacrylate)

The theory and implementation of reactive molecular dynamics (RMD) are presented. The capabilities of RMD and its potential use as a tool for investigating the mechanisms of thermal transformations in materials are demonstrated by presenting results from simulations of the thermal degradation of poly(methyl methacrylate) (PMMA). While it is known that depolymerization must be the major decomposition channel for PMMA, there are unanswered questions about the nature of the initiation reaction and the relative reactivities of the tertiary and primary radicals formed in the degradation process. The results of our RMD simulations, performed directly in the condensed phase, are consistent with available experimental information. They also provide new insights into the mechanism of the thermally induced conversion of this polymer into its constituent monomers.     

Deposition and characterization of alumina films produced by combustion flame pyrolysis

Alumina coatings have been deposited by combustion flame pyrolysis on amorphous silica and stainless steel substrates with the objective to study the effect of solvent composition, Fe³⁺ addition and determine the thermal fatigue lifetime. The effect of solvent composition on crystallinity, transformation temperature and hardness are studied, three different solvent compositions are chosen for preparing the aluminium nitrate solution. Using 100% water, as-deposited films are amorphous and transform to α-alumina only upon annealing, while this equilibrium phase is directly obtained but with a porous microstructure by using 100% methanol. The hardness of the coatings varies with the flammability of the solvents. The effect of Fe³⁺ addition on the crystallization of alumina is studied by combustion pyrolysis of aqueous solutions of Al³⁺ and Fe³⁺ nitrates. Small amount of ferric nitrate reduced the transformation temperature by 100 °C. Thermal cycling of as-deposited amorphous alumina on stainless steel substrate is carried out at different temperatures to determine the thermal fatigue lifetime.     

Analysis of hazard area associated with hydrogen gas transmission pipelines

Hydrogen is considered to be the most important future energy carrier in many applications reducing significantly greenhouse gas emissions, but the safety issues associated with hydrogen applications need to be investigated and fully understood to be applicable as the carrier. Generally, the locations of hydrogen production and consumption are different. Hydrogen must be transported from the point of production to the point of use. Pipeline delivery is cheaper than all other methods for large quantities of hydrogen. The rupture of a hydrogen pipeline can lead to outcomes that can pose a significant threat to people and property in the immediate vicinity of the failure point. In this work, a simplified equation of hazard analysis is proposed for the pipeline transporting hydrogen, which relates the diameter, the operating pressure and the length of the pipeline to the size of the affected area in the event of a failure of the pipeline. The dominant hazards are thermal radiation from sustained fire and shock pressure from gas cloud explosion. For a transmission pipeline of hydrogen gas, the hazard area from the fire is slightly larger than by the other event. The hazard area is directly proportional to the operating pressure raised to the power one-half, and to the pipeline diameter. This simplified equation to estimate the hazard area will be a useful tool for safety management of hydrogen gas transmission pipelines.     

Evidence of thermally induced borehole elongation: a case study at Soultz, France

When they occur, borehole breakouts are considered strong markers of principal stress directions at depth. An innovative processing method for automatically identifying breakouts from ultrasonic borehole wall images has been developed. It has been applied to data sets from two deep, sub-vertical wells (GPK1 and GPK2) at the Soultz geothermal site in eastern France. In well GPK1, below 3 km depth, compression breakouts, with a 95°±7° azimuth, increasingly occur with depth. They result from time dependent compression failure at sub-critical stress levels and are indicators of the minimum horizontal principal stress orientation. However, in the uppermost logged section of well GPK2 (1.6–2.9 km depth), continuous borehole elongations share roughly the same azimuth with so called drilling-induced fractures (164°±18° and 175°±17° azimuth, respectively). Both features concomitantly vanish with depth, together with the amplitude of the thermal perturbation induced by drilling. It is proposed that these latter borehole elongations result from a pervasive, cooling-induced, tensile micro-cracking process prior to macroscopic failure localization. They are termed thermal elongations and are indicators of the maximum horizontal principal stress orientation. Had a simple logging caliper tool been used for this work, these thermal elongations might have been confused with classical compression breakouts. A simple criterion for differentiating compression breakouts from thermal elongation is proposed.     

煤矸石作水泥混合材的活化方法研究

论述了煤矸石用作水泥混合材时如何激发其活性的若干方法 ,介绍了通常所用的热激活、物理激活和化学激活煤矸石的机理。实验显示了各种激活方法的效果 ,近而讨论了提高煤矸石活性时应注意的问题     

Effects of thermal oxidation conditions of silicon electrodes on cathodic electrochemiluminescence of Ru(bpy)3 chelate

Hot electrons emitted from thin oxide film-coated heavily doped silicon electrodes by cathodic pulse polarization can induce electrochemiluminescence from luminophores. The intensity of electrochemiluminescence produced at the electrode surface is dependent on the features of thin oxide films formed by thermal oxidation. As a preliminary study, we investigated the effect of thermal oxide growth conditions on the intensity of electrochemiluminescence produced at these electrodes, such as oxidation atmospheres, oxidation temperature, oxidation time and pre-treatment of wafers, using ruthenium(II) tris-(2,2′-bipyridine) chelate as a model luminophore. Optimal oxidation conditions of heavily doped silicon electrodes were obtained for the generation of intense electrochemiluminescence at this kind of silicon electrodes.     

基于遗传算法的工作辊温度场参数优化模型

针对热连轧机工作辊热辊形计算中温度场模型的热交换等参数难以确定的问题 ,建立了基于遗传算法的参数优化模型 ,可以解决复杂条件下的热参数的求解问题。利用优化参数计算的轧辊温度场与实际测量结果一致。     

Mechanism of heat transport in nanofluids

We have calculated thermal conductivity of alumina nanofluids (with water and ethylene glycol as base fluids) using temperature as well as concentration-dependent viscosity, η. The temperature profile of η is obtained using Gaussian fit to the available experimental data. In the model, the interfacial resistance effects are incorporated through a phenomenological parameter α. The micro-convection of the alumina nanoparticle (diameter less than 100 nm) is included through Reynolds and Prandtl numbers. The model is further improved by explicitly incorporating the thermal conductivity of the nanolayer surrounding the nanoparticles. Using this improved model, thermal conductivity of copper nanofluid is calculated. These calculations capture the particle concentration-dependent thermal conductivity and predict the dependence of the thermal conductivity on the size of the nanoparticle. These studies are significant to understand the underlying processes of heat transport in nanofluids and are crucial to design superior coolants of next generation.     

燃气锅炉运行经济性探讨

文章在对国内现有燃气锅炉的设计参数及运行参数调查、分析的基础上，指出其效率不高的原因，提出了改进措施。