Insights into the intrinsic interaction between series of C1 molecules and surface of NiO oxygen carriers involved in chemical looping processes

Understanding and modulating the interaction between various reactive molecules and oxygen carriers are the key issue to achieve process intensification of chemical looping technology. C1 chemical molecules play an important role in many reactions involved with chemical looping processes. However, up to now, there is still a lack of systematic and in-depth understanding of the adsorption mechanism of C1 molecules on the surface of oxygen carriers (OCs). In this work, the intrinsic interaction between a series of C1 molecules composed of CH₄, CO, CO₂, CH₃OH, HCHO and HCOOH and surface of NiO OCs in the chemical looping process have been studied using density functional theory calculations. Various adsorption configurations of C1 molecules and also different adsorption sites of NiO have been considered. The structural features of stable configuration of C1 molecules on the surface of NiO OCs have been obtained. Further, the interacted sites, types and strengths of C1 molecules on the surface of NiO have been directly pictured by the independent gradient model methods. Also, the nature of the interaction between C1 molecule and NiO surface has been investigated with the aid of energy decomposition analysis from a quantitative view.     

Rapid Reactive Synthesis and Sintering of Submicron TiC/SiC Composites through Spark Plasma Sintering

Submicrometer TiC/SiC composites were fabricated by a rapid reactive sintering process through spark plasma sintering (SPS) technique using the carbon, titanium, and nanosized-SiC powders without any additive. It was found that the composite could be sintered in a relatively short time (8 min at 1480°C) to 97.9% of theoretical density. After sintering, the phase constituents and microstructures of the samples were analyzed by X-ray diffraction techniques and observed by scanning electron microscopy. The effect of nanosized and microsized SiC additives on the microstructure of TiC/SiC composites was investigated.     

FeS2@TiO2 nanorods as high-performance anode for sodium ion battery

Sodium-ion battery (SIB) is an ideal device that could replace lithium-ion battery (LIB) in grid-scale energy storage system for power because of the low cost and rich reserve of raw material. The key challenge lies in developing electrode materials enabling reversible Na⁺ insertion/desertion and fast reaction kinetics. Herein, a core-shell structure, FeS₂ nanoparticles encapsulated in biphase TiO₂ shell (FeS₂@TiO₂), is developed towards the improvement of sodium storage. The diphase TiO₂ coating supplies abundant anatase/rutile interface and oxygen vacancies which will enhance the charge transfer, and avoid severe volume variation of FeS₂ caused by the Na⁺ insertion. The FeS₂ core will deliver high theoretical capacity through its conversion reaction mechanism. Consequently, the FeS₂@TiO₂ nanorods display notable performance as anode for SIBs including long-term cycling performance (637.8 mA·h·g^-1 at 0.2 A·g^-1 after 300 cycles, 374.9 mA·h·g^-1 at 5.0 A·g^-1 after 600 cycles) and outstanding rate capability (222.2 mA·h·g^-1 at 10 A·g^-1). Furthermore, the synthesized FeS₂@TiO₂ demonstrates significant pseudocapacitive behavior which accounts for 90.7% of the Na⁺ storage, and efficiently boosts the rate capability. This work provides a new pathway to fabricate anode material with an optimized structure and crystal phase for SIBs.     

Improvement of structural stability and electrochemical activity of a cathode material LiNi0.7Co0.3O2 by chlorine doping

In the process of Li⁺ intercalation-deintercalation, electron removal is accompanied simultaneously. Oxygen was found to compensate electron removal both in theoretical calculations and practical experiments. Chlorine addition to LiNi_0.7Co_0.3O₂ was expected to exchange electrons in that Cl⁻ was easier to lose electrons than O²⁻. LiNi_0.7Co_0.3O_2−xCl_x was identified as a pure hexagonal lattice of α-NaFeO₂ type by X-ray diffraction. X-ray photoelectron spectroscopy was used to analyze the influence of chlorine substitution on the oxidation state of transition-metal ions. Charge-discharge experiments and cyclic voltammetry confirmed that chlorine addition was an effective way to improve reversible capacity and structural stability in cycles.     

Multiple Random Forests Modelling for Urban Water Consumption Forecasting

The precise forecasting of water consumption is the basis in water resources planning and management. However, predicting water consumption fluctuations is complicated, given their non-stationary and non-linear characteristics. In this paper, a multiple random forests model, integrated wavelet transform and random forests regression (W-RFR), is proposed for the prediction of daily urban water consumption in southwest of China. Raw time series were first decomposed into low- and high-frequency parts with discrete wavelet transformation (DWT). The random forests regression (RFR) method was then used for prediction using each subseries. In the process, the input and output constructions of the RFR model were proposed for each subseries on the basis of the delay times and the embedding dimension of the attractor reconstruction computed by the C-C method, respectively. The forecasting values of each subseries were summarized as the final results. Four performance criteria, i.e., correlation coefficient (R), mean absolute percentage error (MAPE), normalized root mean square error (NRMSE) and threshold static (TS), were used to evaluate the forecasting capacity of the W-RFR. The results indicated that the W-RFR can capture the basic dynamics of the daily urban water consumption. The forecasted performance of the proposed approach was also compared with those of models, i.e., the RFR and forward feed neural network (FFNN) models. The results indicated that among the models, the precision of the predictions of the proposed model was greater, which is attributed to good feature extractions from the multi-scale perspective and favorable feature learning performance using the decision trees.     

甲醇技术发展现状及生产规模经济分析

本文介绍了国内外甲醇生产消费情况及生产工艺路线，并对目前普遍应用的ＩＣＩ低压法和鲁奇低压法进行了综合分析和对比。同时，还就采用ＩＣＩ工艺或鲁奇工艺建１０万吨／年甲醇装置进行了经济分析。     

Effect of Addition of Oxides on Low-Temperature Oxidation of Molybdenum Disilicide

A type of aluminosilicate that has a good wetting property for molybdenum disilicide (MoSi₂) was added to a MoSi₂ matrix to study the effects on the microstructure and low-temperature oxidation. It was found that the composites had not only good low-temperature oxidation resistance but also high thermal shock resistance when the added oxides formed a network microstructure in the matrix. There was no appreciable oxidation gain for MoSi₂/oxide composites with a network microstructure at 773 K for 2500 h. The results indicate that microstructure design is a simple and effective solution to preventing the low-temperature oxidation of MoSi₂.     

A new core–shell type fluorinated acrylic and siliconated polyurethane hybrid emulsion

A novel core–shell type fluorinated acrylic and siliconated polyurethane (FSiPUA) hybrid emulsion was prepared by seeded emulsion polymerization using siliconated polyurethane (SiPU) as a seed and forming the structure with SiPU as a shell and the copolymer of butyl acrylate (BA) with 2,2,2-trifluoroethylmethacrylate (TFEMA) as a core. SiPU was synthesized using isophorone diisocyanate (IPDI), polytetramethylene ether glycol (PTMG), polypropylene glycol (PPG), dihydroxybutyl-terminated polydimethylsiloxane (PDMS), dimethylol propionic acid (DMPA), 1,6-hexanediol (HDO) and triethylamine (TEA). The contents of siloxane and fluorine were determined according to the feed ratio. Fourier transform infrared spectroscopy (FTIR) was used to identify the chain structure of SiPU and FSiPUA. Investigation of transmission electron microscopy (TEM) confirmed the core–shell structure of FSiPUA emulsion and gave the particle size at about 50 nm. The measurement results of water contact angles and the solvent absorptions in water and n-octane for cured films showed that the water and the oil repellency for FSiPUA had been improved significantly with a suitable content of fluorine and siloxane.     

两亲8-氨基喹啉配体的合成、表征及其光谱性质

设计合成了以8-氨基喹啉为亲水头基的两亲配体：2-十六烷基丙二酸二(8-氨基喹啉)酰胺(H2A)。通过元素分析、红外光谱、核磁共振、荧光和UV-Vis光谱表征鉴定了这个化合物。在UV-Vis光谱中，H2A的吸收峰随溶剂极性的增大而紫移，F(n，ε)函数(ε为溶剂的介电常数，n为折射率)对H2A吸收带频率具有线性关系。H2A在室温、中性条件下具有荧光现象，Zn^2 离子使H2A的荧光强度稍有增加，而Cu^2 离子对H2A的荧光具有强的淬灭作用。H2A及其LB膜可被用作电致发光器件的发光层。     

中国石化成品油二次物流配送优化系统的建设与实施效果

介绍了中国石化成品油二次物流配送优化系统的开发、建设过程以及实施效果,提出了进一步提升该系统的建议.