Formation of Chlorotriophenoxy Radicals from Complete Series Reactions of Chlorotriophenols with H and OH Radicals

The chlorothiophenoxy radicals (CTPRs) are key intermediate species in the formation of polychlorinated dibenzothiophenes/thianthrenes (PCDT/TAs). In this work, the formation of CTPRs from the complete series reactions of 19 chlorothiophenol (CTP) congeners with H and OH radicals were investigated theoretically by using the density functional theory (DFT) method. The profiles of the potential energy surface were constructed at the MPWB1K/6-311+G(3df,2p)//MPWB1K/6-31+G(d,p) level. The rate constants were evaluated by the canonical variational transition-state (CVT) theory with the small curvature tunneling (SCT) contribution at 600–1200 K. The present study indicates that the structural parameters, thermal data, and rate constants as well as the formation potential of CTPRs from CTPs are strongly dominated by the chlorine substitution at the ortho-position of CTPs. Comparison with the study of formation of chlorophenoxy radicals (CPRs) from chlorophenols (CPs) clearly shows that the thiophenoxyl-hydrogen abstraction from CTPs by H is more efficient than the phenoxyl-hydrogen abstraction from CPs by H, whereas the thiophenoxyl-hydrogen abstraction from CTPs by OH is less impactful than the phenoxyl-hydrogen abstraction from CPs by OH. Reactions of CTPs with H can occur more readily than that of CTPs with OH, which is opposite to the reactivity comparison of CPs with H and OH.     

An approach to measure infill matric suction of irregular infilled rock joints under constant normal stiffness shearing

Rock joints infilled with sediments can strongly influence the strength of rock mass. As infilled joints often exist under unsaturated condition, this study investigated the influence of matric suction of infill on the overall joint shear strength. A novel technique that allows direct measurement of matric suction of infill using high capacity tensiometers (HCTs) during direct shear of infilled joints under constant normal stiffness (CNS) is described. The CNS apparatus was modified to accommodate the HCT and the procedure is explained in detail. Joint specimens were simulated by gypsum plaster using three-dimensional (3D) printed surface moulds, and filled with kaolin and sand mixture prepared at different water contents. Shear behaviours of both planar infilled joints and rough joints having joint roughness coefficients (JRCs) of 8–10 and 18–20 with the ratios of infill thickness to asperity height (t/a) equal to 0.5 were investigated. Matric suction shows predominantly unimodal behaviour during shearing of both planar and rough joints, which is closely associated with the variation of unloading rate and volumetric changes of the infill material. As expected, two-peak behaviour was observed for the rough joints and both peaks increased with the increase of infill matric suction. The results suggest that the contribution of matric suction of infill on the joint peak normalised shear stress is relatively independent of the joint roughness.     

Reasons for breaking of chemical bonds of gas molecules during movement of explosion products in cracks formed in rock mass

The purpose of this study was to develop a physico-mathematical model and technique for estimation of chemical bond stability depending on electric field intensity of an external point charge. A hypothesis for a possible physico-chemical mechanism of the formation of additional harmful gases in the rock destruction by blasting was proposed. The theoretical basis of the hypothesis is the method of theretical evaluation of bond energy depending on the distance to a point charge, the third Coulomb centre. The quantum-mechanical model for calculating the electronic terms of molecules makes it possible to solve problems associated with the determination of parameters of molecules under the action of various physical fields on the system under consideration. The model was approved for some diatomic molecules. The discrepancy between the experimental data and calculated data did not exceed 14%, which proves accuracy of the obtained results. The model can be used in the field of research into the causes of gas-dynamic phenomena in underground coal mines, in studies of the degree of stability of nanostructured components of coal under physical influences, and in the theoretical design of new compounds and structures in the field of nanomaterial science and nanotechnology.     

煤矿工业场地道路照明接地系统问题探讨

文章简要介绍了煤矿工业场地的特点和低压配电系统接地方式分类,从安全性、经济性的角度分析了TN接地系统和TT接地系统在道路照明回路中的优缺点。通过对比TN-S系统与TT系统的接地故障电流差异、TN-S接地系统用于道路照明的等电位联结困难程度,总结出煤矿工业场地的道路照明配电系统适宜采用TT接地方式。并且详细阐述了TT接地系统剩余电流动作保护器保护整定方法和灵敏度校验方法,列举了煤矿工业场地道路照明选用TT系统时需要注意的中性线不可重复接地的问题。     

Tribological behaviour of a 3Y-TZP/Ta ceramic-metal biocomposite against ultrahigh molecular weight polyethylene (UHMWPE)

This study aims to evaluate the tribological behaviour of 3Y-TZP/Ta (20 vol%) ceramic-metal composites and 3Y-TZP monolithic ceramic prepared by spark plasma sintering (SPS) against ultrahigh molecular weight polyethylene (UHMWPE). According to the results of pin (UHMWPE)-on-flat wear test under dry conditions, the UHMWPE – 3Y-TZP/Ta system exhibited lower volume loss and friction coefficient than the UHMWPE – monolithic ceramic combination due to the presence of an autolubricating layer that provides sufficient lubrication for reducing the friction. Owing to the lubrication of the liquid media, under wet conditions obtained using simulated body fluid (SBF), similar behaviour is observed in both cases. Additionally, the ceramic and biocomposite materials were subjected to a low temperature degradation (LTD) process (often referred to as “ageing”) to evaluate the changes in the tribological behaviour after this treatment. In this particular case, the wear properties of the UHMWPE-biocomposite system were found to be less influenced by ageing in contrast to the case of the UHMWPE-zirconia monolithic material. In addition to their exceptional mechanical performance, 3Y-TZP/Ta composites also showed high resistance to low temperature degradation and good tribological properties, making them promising candidates for biomedical applications, especially for orthopaedic implants.     

厚煤层放顶煤大角度扇形收尾施工工艺实践

以左云长春兴煤业公司301综放工作面扇形收尾施工工艺为背景,介绍了在工作面受地质构造或者井田边界影响,工作面两顺槽与盘区大巷斜交布置时,为了多回收煤炭资源,提高经济效益,采取大角度扇形收尾的施工工艺,为厚煤层放顶煤大角度扇形收尾提供了借鉴和理论依据。     

Group sequential crossover trial designs with strong control of the familywise error rate

Crossover designs are an extremely useful tool to investigators, and group sequential methods have proven highly proficient at improving the efficiency of parallel group trials. Yet, group sequential methods and crossover designs have rarely been paired together. One possible explanation for this could be the absence of a formal proof of how to strongly control the familywise error rate in the case when multiple comparisons will be made. Here, we provide this proof, valid for any number of initial experimental treatments and any number of stages, when results are analyzed using a linear mixed model. We then establish formulae for the expected sample size and expected number of observations of such a trial, given any choice of stopping boundaries. Finally, utilizing the four-treatment, four-period TOMADO trial as an example, we demonstrate that group sequential methods in this setting could have reduced the trials expected number of observations under the global null hypothesis by over 33%.     

Effect of Biochar as Reductant on Magnetizing-roasting Behavior of Pyrite Cinder

The effect of biochar substituted for anthracite as reductant on magnetizing-roasting pyrite cinder was investigated.The key of magnetizing-roasting is the gasification reaction between reductants and CO2.Since biochar could react with CO2 more rapidly at lower temperature,the reactivity of biochar is better than that of anthracite.The gasification of biochar could produce reducing condition ofφCO/(φCO+φCO2)about 10%-20% between 700-800 ℃,which is in accord with the atmosphere and temperature of Fe2O3 reduction.So it is beneficial to the reduction of iron mineral of pyrite cinder.Compared with anthracite,biochar could decrease the roasting temperature from825 to 750 ℃ and roasting time from 20 to 15min,which shows that a better effect of magnetization could be obtained in the condition of lower temperature and shorter time.Using biochar as reductant,iron concentrate extracted from pyrite cinder as about 64%iron grade could be produced,and the recovery is over 90% under the condition of above 90% grinding particle less than 0.045 mm and magnetic intensity of 0.124-0.194 T.     

Application of Vis–NIR hyperspectral imaging in classification between fresh and frozen-thawed pork Longissimus Dorsi muscles

Fresh and frozen-thawed (F-T) pork meats were classified by Vis–NIR hyperspectral imaging. Eight optimal wavelengths (624, 673, 460, 588, 583, 448, 552 and 609 nm) were selected by successive projections algorithm (SPA). The first three principal components (PCs) obtained by principal component analysis (PCA) accounted for over 99.98% of variance. Gray-level-gradient co-occurrence matrix (GLGCM) was applied to extract 45 textural features from the PC images. The correct classification rate (CCR) was employed to evaluate the performance of the partial least squares-discriminate analysis (PLS-DA) models, by using (A) the reflected spectra at full wavelengths and (B) those at the optimal wavelengths, (C) the extracted textures based on the PC images, and (D) the fused variables combining spectra at the optimal wavelengths and textures. The results showed that the best CCR of 97.73% was achieved by applying (D), confirming the high potential of textures for fresh and F-T meat discrimination.     

一类两性分枝过程条件均值增长率的极限性质

本文主要研究随机环境中配对依赖人口数两性 Galton-Watson 分枝过程的条件均值增长率的极限性质．利用上可加函数的性质，得到配对单元平均增长率的极限性质和该过程条件均值的上界和下界．文中给出了关于过程条件均值增长率的两个序列，利用配对单元平均增长率的性质，获得了这两个序列的极限性质．随机环境中配对依赖人口数两性分枝过程比较复杂，本文的结论推广了现有的研究成果．