Kinetic Monte Carlo simulation of hydrogen production from photocatalytic water splitting in the presence of methanol by 1 wt% Au/TiO2

In this research, using the kinetic Monte Carlo simulation (KMC), the hydrogen production from a water-methanol mixture using Au/TiO₂ photocatalyst is investigated. A mechanism is proposed, and the rate constants of the reaction steps are specified. The reaction rate constants of different steps and the concentration of the active sites on the photocatalyst surface were determined. An excellent match between simulated and experimental data confirms the results. The electron-hole pair production, methanol adsorption on the photocatalyst surface, and electron-hole recombination steps are considered the most critical steps. To study the effects of independent variables (initial concentration of methanol, photocatalyst dosage, pH, and time of reaction) on the produced hydrogen, a combination of KMC simulation and design of experiment was employed. The concentration of photocatalysis has the highest and pH has the lowest effect on the hydrogen production. The optimal conditions for photocatalytic hydrogen production are presented.     

格点QCD基础求解器及其异构计算实现的性能优化

格点量子色动力学(格点QCD)是研究夸克、胶子等微观粒子间相互作用的重要理论和方法. 通过将时空离散化为四维结构网格, 并将量子色动力学的基本场量定义在网格上, 让研究人员可以使用数值模拟方法, 从第一性原理出发研究强子间相互作用和性质, 但这个过程中的计算量极大, 需要进行大规模并行计算. 格点QCD计算的核心基础为格点QCD求解器, 是程序运行主要的计算热点模块. 本文研究在国产异构计算平台下格点QCD求解器的实现与优化, 提出一套格点QCD求解器的设计实现, 实现了BiCGSTAB求解器, 显著降低了迭代次数; 通过对奇偶预处理技术, 降低了所求问题的计算规模; 针对国产异构加速卡的特点, 优化了Dslash模块的访存操作. 实验测试表明, 相比优化前的求解器获得了约30倍的加速比, 为国产异构超算下格点QCD软件性能优化提供了有益的参考价值.     

基于软件校准的短波发射机功率控制系统设计

短波发射机功率稳定一直是通信领域致力改善的重点问题,短波发射机功率不稳定会直接影响无线电通信质量,造成通信失真、表达不清晰等问题。针对上述问题,基于软件校准设计短波发射机功率控制系统。该系统借鉴MVC设计模式搭建系统数据库层、业务逻辑层、控制层以及界面显示层基础框架；将功率计与短波发射机相连,实时采集工作状态下的短波发射机功率数据,通过信号处理器实施处理后并存储,借鉴传输元件,将数据发送到控制器,通过控制器校准短波发射机功率与预期之间的偏差,以偏差量为输入,利用改进PID运算得出控制量,生成控制命令,通过输入输出信号接口板输出命令,控制驱动装置调节短波发射机运行参数,实现功率控制。结果表明：与 控制系统、自动调谐系统应用相比较,在所设计系统应用控制下,100s内短波发射机的功率变化曲线与预期曲线之间的拟合优度指数更大,更接近1,优于对比系统,说明相比于对比系统。本系统控制表现更好,更能维持短波发射机功率稳定,达到了研究目标。     

Facile synthesis of Ti3C2 MXene-modified Bi2.15WO6 nanosheets with enhanced reactivity for photocatalytic reduction of Cr(VI)

Through a facile hydrothermal method, we have successfully prepared Ti₃C₂/Bi_2.15WO₆ (TC/BWO) composite, and systematically investigated their reactivity for the photocatalytic reduction of Cr(VI) under visible light. X-ray diffraction and Raman analysis confirm the formation of heterostructure between Bi_2.15WO₆ and Ti₃C₂. The resultant 7TC/BWO composite exhibits enhanced photoactivity toward Cr(VI) reduction. After 120 min irradiation, the conversion of Cr(VI) reaches 92.5% with the quasi-first-order kinetic constant of k = 0.0145 min^?1, which is higher than that of pure BWO (30% and k = 0.0005 min^?1). The electrochemical and photoluminescent characterization confirm that the introduction of Ti₃C₂ is conducive to the separation of carriers, thus significantly improves the photocatalytic performance of TC/BWO. Furthermore, the radical capture experiments verify that the electrons are important for enhancing reduction of Cr(VI) to Cr(III). As a result, this research provides a comprehensive understanding of the reduction of Cr(VI) by TC/BWO composite under visible light.     

控制爆破法处理卡钻事故

介绍了在包头市某工程实施管道穿越黄河施工中,采用爆破法处理卡钻的经验。针对深水环境条件及钻杆内径小不宜采用集团装药的条件,确定采用"小直径爆破筒,钻杆内部装药"的爆破方案,阐述了爆破设计及施工注意事项。可供类似工程参考。     

Dynamic simulation of hydrogen-based off-grid zero energy buildings with hydrogen storage considering Fanger model thermal comfort

In this study, some locations with different climates, off-grid zero energy buildings with hydrogen energy storage systems are designed, and transient analysis is conducted. These considered buildings supply their electricity consumption without using the electrical grid and PV panels or wind turbines. Also, they supply thermal comfort to occupants by using a vapor compression chiller and humidifier. Domestic hot water of occupants is supplied using solar collectors. For analyzing building's performance and objectives achievement, TRNSYS software is used. Also, for evaluating occupant thermal comfort, the Fanger model is used. The considered building is a one-story building with a 150 m² area. Four occupants are considered. Both of them are seated at rest, and another is seated with light working such as typing. Using the Fanger model equation and MATLAB software, the thermal comfort of occupants is determined. For domestic hot water consumption, verified profiles that vary during 24 h of the day are considered. Achieved results show that for humid and cold cities, PV panels with an area of 73 and 76 m² can be supplied the required electricity of considered building with four occupants and battery state of charge is higher than 50% and 10%, respectively. Moreover, with a suitable air conditioner system, the predicted percentage of dissatisfied (PPD) can be lower than 12% and 8% for humid and cold cities. Therefore, the building can be converted to a zero-energy building using its rooftop area.     

Influence of CO2 inleakage on the slight-alkalization of generator internal cooling water

The slight-alkalization of generator internal cooling water (GICW) is widely used to inhibit the corrosion of hollow copper conductor and thereby ensure the safe operation of the generator. CO₂ inleakage is increasingly identified as a potential security risk for GICW system. In this paper, the influence of CO₂ inleakage on the slight-alkalization of GICW was theoretically discussed. Based on the equilibriums of the CO₂-NaOH-H₂O system, CO₂ inleakage saturation was derived to quantify the amount of the dissolved CO₂ in GICW. This parameter can be directly calculated with the measured conductivity and the [Na⁺] of GICW. The influence of CO₂ inleakage on the slight-alkalization conditioning of GICW and the measurement of its water quality parameters were then analyzed. The more severe the inleakage, the narrower the water quality operation ranges of GICW, resulting in the more difficult the slight-alkalization conditioning of GICW. The temperature calibrations of the conductivity and the pH value of GICW show non-linear correlations with the amount of CO₂ inleakage and the NaOH dosage. This study provides insights into the influence of CO₂ inleakage on the slight-alkalization of GICW, which can serve as the theoretical basis for the actual slight-alkalization when CO₂ inleakage occurs.     

Influence of applied voltage and conductive material in DIET promotion for methane generation

The utilization of biological-, electrode- and conductive material-mediated direct interspecies electron transfer (DIET) between exoelectrogenic bacteria and methanogenic archaea for enhancing methane productivity is widely reported in the literature. However, two cardinal questions are still controversial, i.e., which applied voltage value would be more recommended to enhance methane generation? and how the DIET over IIET has the upper hand in enhancing methane productivity? Herein, the influence of different applied voltages to promote biological-, conductive- and electrode-mediated DIET was investigated in MEC-AD reactors with conductive material. Polarized bioelectrodes induced electrode-mediated DIET (eDIET) and biological DIET (bDIET), in addition to cDIET (conductive material-mediated DIET), improved the methane yield to 315.40 mL/g COD_r with an applied voltage of 0.9 V. Whereas further increase of applied voltage 1.2 V, lessened methane production efficiency due to high-voltage inhibition and adverse effect on DIET promotion. The anaerobic digestion coupled microbial electrolysis cells with optimal electric potential selectively promotes the DIET through polarized electrodes were confirmed through microbial analysis. As the contribution of DIET increased to 80%, the methane yield increased, and the substrate residue decreased, resulting in a significant improvement in methane production.     

Magnetic properties,phase evolution,hollow structure and biomedical application of hematite (α-Fe2O3) and QUAIPH

We investigate synthesis, phase evolution, hollow and porous structure and magnetic properties of quasi-amorphous intermediate phase (QUAIPH) and hematite (α-Fe₂O₃) nanostructure synthesized by annealing of akaganeite (β-FeOOH) nanorods. It is found that the annealing temperature determines the phase composition of the products, the crystal structure/size dictates the magnetic properties whereas the final nanorod morphology is determined by the starting material. Annealing of β-FeOOH at ～300 °C resulted in the formation of hollow QUAIPH nanorods. The synthesized material shows low-cytotoxicity, superparamagnetism and good transverse relaxivity, which is rarely reported for QUAIPH. The QUAIPH nanorods started to transform to porous hematite nanostructures at ～350 °C and phase transformation was completed at 600 °C. During the annealing, the crystal structure changed from monoclinic (akaganeite) to quasi-amorphous and rhombohedral (hematite). Unusually, the crystallite size first decreased (akaganeite → QUAIPH) and then increased (QUAIPH → hematite) during annealing whereas the nanorods retained particle shape. The magnetic properties of the samples changed from antiferromagnetic (akaganeite) to superparamagnetic with blocking temperature T_B = 84 K (QUAIPH) and finally to weak-ferromagnetic with the Morin transition at T_M = 244 K and high coercivity H_C = 1652 Oe (hematite). The low-cytotoxicity and MRI relaxivity (r₂ = 5.80 mM^?1 s^?1 (akaganeite), r₂ = 4.31 mM^?1 s^?1 (QUAIPH) and r₂ = 5.17 mM^?1 s^?1 (hematite)) reveal potential for biomedical applications.