双季戊四醇在3种混合溶剂中的固-液相平衡

采用动态平衡法，在293.15～332.80 K、常压下，测定了双季戊四醇(DPE)在水+(甲醇、乙醇、异丙醇)三种混合溶剂中的溶解度数据。结果表明：DPE在不同质量分数的水+(甲醇、乙醇、异丙醇)混合溶剂中的溶解度随体系温度升高而增大；同一温度下，其在所选取溶剂体系中的溶解度随着甲醇、乙醇或异丙醇质量分数的增大而先增大后减小。λh方程、两参数方程与Apelblat方程均能够对所测定的溶解度数据进行较好的关联；通过修正的van’t Hoff方程计算得到DPE在所选取溶剂体系中Δ_sol H ⁰、Δ_sol S ⁰和Δ_sol G ⁰均大于零，表明DPE在所选取溶剂体系中的溶解过程为吸热、熵增的非自发过程。     

日本新型二次电池工业发展及其与中国的比较

在新型二次电池产业的发展中,氢镍电池市场不断萎缩,锂离子电池市场正处于黄金时代。通过对日本和中国新型二次电池产业发展历程分析,我国主要针对低端市场,高端市场为日本占据,并从日本发展经验中提出了可供我国锂离子电动车电池发展的借鉴之处。     

Achieving Rich and Active Alkaline Hydrogen Evolution Heterostructures via Interface Engineering on 2D 1T‐MoS2 Quantum Sheets

Large‐scale production of hydrogen from water‐alkali electrolyzers is impeded by the sluggish kinetics of hydrogen evolution reaction (HER) electrocatalysts. The hybridization of an acid‐active HER catalyst with a cocatalyst at the nanoscale helps boost HER kinetics in alkaline media. Here, it is demonstrated that 1T–MoS₂ nanosheet edges (instead of basal planes) decorated by metal hydroxides form highly active ${\text{edge}}_{{\text{1T‐MoS}}_{\text{2}}}$/ ${\text{edge}}_{\text{Ni}{(\text{OH})}_{\text{2}}}$ heterostructures, which significantly enhance HER performance in alkaline media. Featured with rich ${\text{edge}}_{{\text{1T‐MoS}}_{\text{2}}}$/ ${\text{edge}}_{\text{Ni}{(\text{OH})}_{\text{2}}}$ sites, the fabricated 1T–MoS₂ QS/Ni(OH)₂ hybrid (quantum sized 1T–MoS₂ sheets decorated with Ni(OH)₂ via interface engineering) only requires overpotentials of 57 and 112 mV to drive HER current densities of 10 and 100 mA cm^?2, respectively, and has a low Tafel slope of 30 mV dec^?1 in 1 m KOH. So far, this is the best performance for MoS₂‐based electrocatalysts and the 1T–MoS₂ QS/Ni(OH)₂ hybrid is among the best‐performing non‐Pt alkaline HER electrocatalysts known. The HER process is durable for 100 h at current densities up to 500 mA cm^?2. This work not only provides an active, cost‐effective, and robust alkaline HER electrocatalyst, but also demonstrates a design strategy for preparing high‐performance catalysts based on edge‐rich 2D quantum sheets for other catalytic reactions.     

Structural similarity measure between UML class diagrams based on UCG

Requirements Engineering - In software reuse, the reuse of UML class diagram produced in design phase has received more attention due to the important influence on the following developing process....     

陕南山地烟田不同植烟年限土壤养分的变化

为给陕南山地烟草生产布局及有针对性的施肥措施提供依据,分析了陕南山地烟田不同植烟年限(0~15年)与土壤养分含量的关系。结果表明:随着植烟年限延长,有机质线性下降,全氮和速效钾显著上升,有效磷先上升后下降;氯、有效铁、有效锰、有效硼和有效铜无显著变化或变化很小,有效锌则在第1年急剧下降,之后保持稳定,10年后再次显著下降。认为陕南山地烟区烟叶生产中应适当增加有机肥的施用而合理控制氮肥、磷肥和钾肥的施用,并要注意锌肥的补充。     

综放高瓦斯矿井煤层瓦斯涌出量综合预测

为了成功预测竹林山煤矿综放高瓦斯矿井大采高工作面煤层瓦斯涌出量,以主采3号煤层为主要研究对象,针对3号煤层以往开采情况,通过布设测点测量其煤层瓦斯含量和了解相邻矿井瓦斯含量,采用分源预测法、回归法及统计法等预测方法得到了3号煤层瓦斯含量的分布规律,并绘制了3号煤层的瓦斯含量等值线图。对矿井不同生产时期的瓦斯含量进行预测,得到了生产前期、中期及后期采区的最大绝对瓦斯涌出量和最大相对瓦斯涌出量,说明了竹林山煤矿各个时期均属于高瓦斯矿井。     

脉冲高度权重技术测量197Au中子俘获截面

脉冲高度权重技术是利用C_6D_6探测器测量中子俘获截面的一种数据处理方法。在中国散裂中子源(China Spallation Neutron Source,CSNS)的反角白光中子源(Back-n)靶站上,通过测量金靶(~(197)Au)的中子俘获截面,验证了该方法的可靠性。首先利用Geant4蒙特卡罗程序模拟给出了不同靶条件下的探测器效率,脉冲高度权重函数等基本项,使得加权后的探测器效率与γ能量成正比。然后通过实验测量了~(197)Au中子俘获截面。结果表明:测量获得的中子俘获截面数据和ENDF/B-VⅢ.0评价数据相符合,同时发现随着实验靶尺寸的不同和质子束功率的增加,会使得实验本底的扣除误差越来越大。     

VaspCZ:一个提高效率的VASP计算辅助程序

VASP(Vienna Ab-initio Simulation Package)是基于密度泛函理论的通用材料计算模拟软件。随着高性能计算平台的广泛使用和高通量计算的兴起,VASP计算任务的复杂性和数据量也大幅度提升。为了提高材料理论计算的方便程度,减少大量重复的指令和结果检查的复杂性,本文提供了一个基于Python语言的VASP计算辅助程序VaspCZ,能够大幅提高研究者的科研效率。该程序包含软件部分和API部分,软件部分提供了命令行用户界面,基于基本的Linux命令即可一键完成VASP计算的相关操作,为无编程语言基础的研究人员提供了便利。应用程序接口部分服务于具有Python语言基础的研究者,提供了底层库,使得自定义计算(如高通量计算、编写高级应用等)更为简单快捷。本程序包可以显著提高VASP的计算效率,并已经通过Github开源项目公开,提供了详细的使用文档、使用示例和API接口,有望能为广大材料理论研究者提供便利。     

Two-step pyrolytic engineering to form porous nitrogen-rich carbons with a 3D network structure for Zn-air battery oxygen reduction electrocatalysis

It is of great urgency to design inexpensive and high-performance oxygen reduction reaction (ORR) electrocatalysts derived from biowastes as substitutes for Pt-based materials in electrochemical energy-conversion devices. Here we propose a strategy to synthesize three-dimensional (3D) porous nitrogen-doped network carbons to catalyze the ORR from two-step pyrolysis engineering of biowaste scale combined with the use of a ZnCl₂ activator and a FeCl₂ promotor. Electrochemical tests show that the synthesized network carbons have exhibited comparable ORR catalytic activity with a half-wave potential (~0.85 V vs. RHE) and outstanding cyclical stability in comparison to the Pt/C catalyst. Beyond that, a high electron transfer number (~3.8) and a low peroxide yield (<7.6%) can be obtained, indicating a four-electron reaction pathway. The maximum power density is ~68 mW cm^?2, but continuous discharge curves (at a constant potential of ~1.30 V) for 12 h are not obviously declined in Zn-air battery tests using synthesized network carbons as the cathodic catalyst. The formation of 3D porous structures with high BET surface area can effectively expose the surface catalytic sites and promote mass transportation to boost the ORR activity. This work may open a new idea to prepare porous carbon-based catalysts for some important reactions in new energy devices.