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.     

Porous sunflower plate-like NiFe2O4/CoNi–S heterostructure as efficient electrocatalyst for overall water splitting

Constructing high-efficient and nonprecious electrocatalysts is of primary importance for improving the efficiency of water splitting. Herein, a novel sunflower plate-like NiFe₂O₄/CoNi–S nanosheet heterostructure was fabricated via facile hydrothermal and electrodeposition methods. The as-fabricated NiFe₂O₄/CoNi–S heterostructure array exhibits remarkable bifunctional catalytic activity and stability toward oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline media. It presents a small overpotential of 219 mV and 149 mV for OER and HER, respectively, to produce a current density of 10 mA cm^?2. More significantly, when the obtained electrodes are used as both the cathode and anode in an electrolyzer, a voltage of 1.57 V is gained at 10 mA cm^?2, with superior stability for 72 h. Such outstanding properties are ascribed to: the 3D porous network structure, which exposes more active sites and accelerates mass transfer and gas bubble emission; the high conductivity of CoNi–S, which provides faster charge transport and thus promotes the electrocatalytic reaction of the composites; and the effective interface engineering between NiFe₂O₄ (excellent performance for OER) and CoNi–S (high activity for HER), which leads to a shorter transport pathway and thus expedites electron transfer. This work provides a new strategy for designing efficient and inexpensive electrocatalysts for water splitting.     

Effects of anion and cation doping on the thermoelectric properties of n-type PbS

The PbCl_xS_1-x and Pb_1-xBi_xS (x? =?0–0.05) bulks were fabricated with a facile method of hydrothermal synthesis and microwave sintering, and the effect of anionic and cationic donors on the thermoelectric performance of PbS was investigated. Although Cl^? and Bi³⁺ both effectively improved the thermoelectric properties of n-type PbS, more excellent thermoelectric performance was obtained from Cl^? doped samples because of higher electrical property and lower thermal conductivity at higher temperature (T? >?600?K). The thermoelectric figure of merit (ZT) reaches 1.04 for PbCl_0.015S_0.985 at 800?K and increases with temperature increasing without sign of saturation, which is probably the highest value ever reported for single-phase polycrystalline n-type PbS. The results also indicate that the hydrothermal synthesis and microwave sintering can realize anion doping as well as cation doping for n-type PbS at low cost, and PbS should be a robust alternative for PbTe thermoelectric materials.     

子母车系统效率分析与验证

在子母车系统中,研究一台母车配合两台子车在同层进行复合作业的效率问题,提高系统作业效率计算的准确性,优化系统整体布局和物流设备的选择。首先分析一台母车配合两台子车在同层的循环复合作业过程;然后结合子母车的运动特性得到其作业效率计算模型;最后采用MATLAB工具计算效率模型分别在随机组合作业对和FEM9.851标准作业对的作业效率,通过对比验证,两种循环作业的效率绝对偏差符合工程实际。在工程实际中可以参照FEM9.851标准作业对代替随机组合作业对进行子母车系统的效率计算。     

Bearing Failure Optimization of Composite Double-Lap Bolted Joints Based on a Three-Step Strategy Marked By Feasible Region Reduction and Model Decoupling

To minimize the mass and increase the bearing failure load of composite doublelap bolted joints, a three-step optimization strategy including feasible region reduction, optimization model decoupling and optimization was presented. In feasible region reduction, the dimensions of the feasible design region were reduced by selecting dominant design variables from numerous multilevel parameters by sensitivity analyses, and the feasible regions of variables were reduced by influence mechanism analyses. In model decoupling, the optimization model with a large number of variables was divided into various sub-models with fewer variables by variance analysis. In the third step, the optimization sub-models were solved one by one using a genetic algorithm, and the modified characteristic curve method was adopted as the failure prediction method. Based on the proposed optimization method, optimization of a double-lap single-bolt joint was performed using the ANSYS^® code. The results show that the bearing failure load increased by 13.5% and that the mass decreased by 8.7% compared with those of the initial design of the joint, which validated the effectiveness of the three-step optimization strategy.     

基于关键水平的水下采油树预防性维修决策方法

为解决电液复合水下采油树在运行过程中工作环境恶劣且复杂、系统要求可靠性高、维修难度大且费用高的问题,建立基于伽马退化过程的水下采油树组件可靠度退化模型和考虑维修花费、停产损失在内的维修成本模型,建立水下采油树系统预防性维修优化目标体系,基于多目标粒子群优化算法对维修策略进行优化。建立的模型可有效描述水下采油树系统的工作特性,最优解能够满足在低维修成本的前提下系统高可靠性的工作要求。     

基于特征融合的中文简历解析方法研究

针对基于规则和统计的传统中文简历解析方法效率低、成本高、泛化能力差的缺点，提出一种基于特征融合的中文简历解析方法，即级联Word2Vec生成的词向量和用BLSTM（Bidirectional Long Short-Term Memory）建模字序列生成的词向量，然后再结合BLSTM和CRF（Conditional Random Fields）对中文简历进行解析（BLSTM-CRF）。为了提高中文简历解析的效率，级联包含字序列信息的词向量和用Word2Vec生成的词向量，融合成一个新的词向量表示；再由BLSTM强大的学习能力融合词的上下文信息，输出所有可能标签序列的分值给CRF层；再由CRF引入标签之间约束关系求解最优序列。利用梯度下降算法训练神经网络，使用预先训练的词向量和Dropout优化神经网络，最终完成对中文简历的解析工作。实验结果表明，所提的特征融合方法优于传统的简历解析方法。     

提高琅琊山选矿厂铁回收率试验

琅琊山选矿厂为了提高选铁回收率，进行了粗、精、扫选磁场强度试验及磨矿细度对铁回收的影响试验。结果表明：①增大扫选磁场强度可以提高精矿铁回收率0.37个百分点；扫选磁场强度从168 kA/m提高到240 kA/m，磁性铁回收率从89.79%提高到90.86%。②磁性铁主要以微细粒流失在尾矿中，回收难度极大。③以增大扫选磁场强度可提高铁回收率0.37个百分点计算，每年可增加销售收入约14.6万元，大半年即可收回设备改造投资。