循环水替代7℃水在氯乙烯精馏装置中的应用研究

详细计算了PVC生产精馏系统换热设备的热负荷、循环水量及运行成本,认为通过调整系统的运行温度和压力,精馏装置使用循环水替代7℃水具有可行性,这将有利于突破能耗高的技术瓶颈,最大程度地发挥节能降耗、减污增效的潜能。     

钨中空位及其团簇的能量学和动力学性质参数

在总结前人钨中空位及其团簇的能量学和动力学行为的研究成果基础上，采用第一性原理方法系统计算了钨中空位及其团簇的结合能和扩散能垒。研究发现，交换关联泛函PW91和PBE较PBEsol、AM05和LDA更适合用于计算钨空位的能量学性质。基于第一性原理计算结果对文献中单空位形成能、双空位作用性质等争议性问题进行了讨论，并对钨经验势进行了评估。研究结果表明，钨中孤立单空位间总是相互排斥，而空位团簇（V_n>3）对单空位具有很强的吸引作用，其结合能随着所含空位个数增多呈现波动性增大的趋势。空位团簇稳定结构可通过最小化Wigner-Seitz表面积来确定，其结合能与V_n与V_n-1之间的Wigner-Seitz面积之差呈正比。     

A Skin-Inspired Triboelectric Nanogenerator with an Interpenetrating Structure for Motion Sensing and Energy Harvesting

Rapid advancements in wearable electronics impose the challenge on power supply devices. Herein, a flexible single-electrode triboelectric nanogenerator (SE-TENG) that enables both human motion sensing and biomechanical energy harvesting is reported. The SE-TENG is fabricated by interpenetrating Ag-coated polyethylene terephthalate (PET) nanofibers within a polydimethylsiloxane (PDMS) elastomer. The Ag coating and PDMS are performed as the electrode and dielectric material for the SE-TENG, respectively. The Ag-coated PET nanofibers enlarge the electrode surface area, which is beneficial to increase sensing sensitivity. The flexible SE-TENG sensor shows the capability of outputting alternating electrical signals with an open-circuit voltage up to 50 V and a short-circuit current up to 200 nA in response to externally applied pressure. It is used to sense various types of human motions and harvest electric energy from body motion. The harvested energy can successfully power wearable electronics, such as an electronic watch and light-emitting diode. Therefore, the as-prepared SE-TENG sensor with a pressure response and self-powered capability provides potential applications in wearable sensors or flexible electronics for personal healthcare and human–machine interfaces.     

中国石油工业上游发展面临的挑战与未来科技攻关方向

石油和天然气是全球和中国最重要的一次能源。石油工业的生存发展是由油气资源、市场、技术和社会政治经济环境等要素决定的，其中，技术进步是最活跃和最关键的因素之一。中国已成为全球油气生产消费大国，中国石油工业上游的发展也高度依赖石油科技的进步。中国石油工业已形成了先进完整的理论技术研发和装备制造体系，支撑了油气产量持续稳产和增产。未来是中国社会经济发展的关键期，石油工业必将面对重大挑战与新的技术需求，大力实施国家创新战略，发展具有国际领先水平的新一代勘探开发理论技术，支撑油气产业发展，保障国家油气能源安全。中国石油工业上游在未来面临的重大挑战与技术需求包括：①满足中国未来现代化建设的巨大油气需求和保障油气供应安全，这当中必须加大中国油气勘探开发，同时进一步扩大全球及"一带一路"油气投资与生产；②实现中国石油长期稳产2×10⁸t/a以上；③实现中国天然气产量上升至3 000×10⁸m³/a并长期稳产；④发展海洋及深水油气勘探开发先进技术与装备；⑤形成新一代石油工程服务技术装备和数字化转型。中国石油工业上游未来的科技攻关方向和研发重点包括：①先进的石油大幅度提高采收率技术；②大气田勘探与复杂气田提高采收率技术；③非常规油气勘探开发技术；④海洋及深水油气勘探开发技术及装备；⑤"一带一路"油气勘探开发技术；⑥新一代石油工程服务技术装备和数字化转型。     

Surface energies in high-entropy carbides with variable carbon stoichiometry

The carbon vacancy in high-entropy carbides (HECs) has a significant impact on their physical and chemical properties, yet relevant studies have still been relatively few. In this study, we investigate the surface energies of HECs with variable carbon vacancies through first-principles calculations. The results show that the surface energy of the (1 0 0) surface of the stoichiometric HECs is significantly lower than that of (1 1 1) surface. With the decrease in carbon stoichiometry, the surface energies of both (1 0 0) and (1 1 1) surfaces increase gradually, which is mainly due to the weakening of covalent bonding and the decrease of metal Hirshfeld-I (HI) charges. However, the surface energy of (1 0 0) surface increases more quickly than that of (1 1 1) surface and will exceed that of (1 1 1) surface when the carbon stoichiometry decreases to a certain extent, which is primarily attributed to the greater decrease rate of metal HI charges of (1 0 0) surface.     

Rapid synthesis of garnet-type Li7La3Zr2O12 solid electrolyte with superior electrochemical performance

Li₇La₃Zr₂O₁₂-based garnet-type solid electrolytes are promising candidates for use in all-solid-state lithium batteries (ASSLBs). However, their potential in large-scale commercial applications is largely hindered by the time/energy-consuming and lithium-wasting synthetic method which typically needs a long-duration high temperature solid state reaction process. Herein we invent a fast preparation route that involves a short-period thermal reaction (1100 °C for 10 min) in laboratory muffle furnaces following by conventional hot pressing technique to get almost fully dense (Al, Ga, Ta, Nb)-doped garnet-type electrolytes with high phase purity (>99.9 %). The large and compact grains, low porosity and high phase purities of garnet ceramic electrolytes synthesized in this study ensure superior electrochemical performance. Particularly, Ga-doped cubic Li₇La₃Zr₂O₁₂ shows extremely low E_a values (0.17?0.18 eV) and record-high lithium ionic conductivities (>2 × 10^?3 S cm^-1 at 25 °C).     

Direct additive manufacturing of melt growth Al2O3-ZrO2 functionally graded ceramics by laser directed energy deposition

Functionally graded ceramics (FGC), which combine properties of different ceramics in one part, usually have better comprehensive function and structural efficiency. In this study, four different gradient transition Al₂O₃-ZrO₂ FGC samples were prepared by laser directed energy deposition (LDED) method. The results show that there is an obvious interface in direct transition sample. The transition section bears tensile stress caused by difference of thermophysical properties of materials, resulting in significant longitudinal cracks. Element transition in interface region shows a step sharp transition. The direct transition sample shows intergranular fracture and the bonding strength is very low. Gradient transition mode can effectively suppress cracks, and avoid the step transition of microstructure and elements. Elements, microhardness of 25, 20 wt% FGC samples realized a nearly linear smooth transition. The interface fracture of FGC samples changed to transgranular fracture, bonding strength was significantly improved, and the maximum flexural strength reached 160.19 MPa.     

Impact of urban development on residents’ public transportation travel energy consumption in China: An analysis of hydrogen fuel cell vehicles alternatives

Urban development has an important influence on the energy consumption of transportation. To develop public transportation is one of the important ways to decrease the energy consumption of urban transportation. It is very urgent to upgrade technology to reduce the energy consumption and emissions of the vehicles constantly. The popularization of hydrogen fuel cell vehicles is the trend of the future automobile industry, which can effectively reduce traffic energy consumption and alleviate urban pollution. This article analyzes the impact of urban development on public transport and private transportation energy consumption from 2013 to 2015; and uses hydrogen fuel cell vehicles alternatives in urban public transport as a scenario. It shows that urban economic development can effectively reduce public transport. Population growth will increase greatly energy consumption of public transport, while larger cities with reasonable spatial density can reduce traffic energy consumption. Moreover, hydrogen fuel cell vehicles can effectively reduce the energy consumption and pollution emissions of urban transportation during operating. Based on the above conclusions, this article will eventually provide targeted recommendations for the development of Chinese cities, public transport, and hydrogen fuel cell vehicles.     

最优化算法与纯元素谱剥离相结合的能量色散X射线荧光谱解谱方法

在进行能量色散X射线荧光光谱(EDXRF)解谱时,如果给定样品的元素构成,采用纯元素谱图剥离的方式会更加合理,但由于每个元素的谱线都不止一条,如果仅仅针对主线对齐做剥离,会导致结果的严重失真,同时剥离次序对解谱结果有较大影响。介绍了一种最优化算法与纯元素谱剥离相结合的EDXRF解谱方法,该方法以多个纯元素谱的强度大小和峰位漂移道数作为变量构建残差方程,并用最优化计算的方法去调整,直至残差达到极小。实验采用强度顺序剥离、能量顺序剥离和最优化算法拟合3种方法分别对谱线重叠较为严重的La-Ce-Pr-Nd混合液样品的L系谱线进行了解析,结果表明最优化计算方法拟合的谱图与原始谱的残差 (1415.0)比另两种方法(166094.0和3192.7)大幅度缩小,拟合谱与原始谱更为吻合,并且方法在实现时对初值不敏感,解谱精度也不依赖于剥离次序。     

Mg-5Y-3Sm-0.8Ca-0.5Sb合金的高温蠕变行为

采用蠕变实验和理论计算,研究了时效态Mg-5Y-3Sm-0. 8Ca-0. 5Sb合金在250～300℃和50～70 Pa条件下的蠕变行为。结果表明,该合金具有良好的抗高温蠕变性能,其在300℃和70 MPa下的稳态蠕变速率为3. 28×10-8s-1。在50～70 MPa的应力下,当温度由250℃升到300℃时,应力指数由2. 30变为3. 22;在250～300℃的温度下,当应力由50 MPa升到70 MPa时,蠕变激活能由65. 4 kJ/mol变为81. 0 kJ/mol。