离子液体C3MIBF4和C5MIBF4溶解焓的研究

在298.15 K下利用等温环境溶解反应热量计测定了离子液体C₃MIBF₄(四氟硼酸1-甲基-3-丙基咪唑)和C₅MIBF₄(四氟硼酸1-甲基-3-戊基咪唑)不同浓度水溶液的摩尔溶解焓(Δ_sH_m). 借助Pitzer电解质溶液理论, 得到了它们的标准摩尔溶解焓 和Pitzer焓参数: 和 , 并计算了表观相对摩尔焓. 根据Glasser理论计算了离子液体晶格能, 进而估算了离子液体C₅MIBF₄和C₃MIBF₄中正离子的水化焓分别为－171 kJ•mol^－1 (C₅MI^＋)和－207 kJ•mol^－1 (C₃MI^＋).     

Pitzer方程应用于离子液体[Cnmim][H2PO4](n= 3, 4, 5, 6)溶解焓研究

在298.15 K下,利用等温环境溶解反应热量计,测定了离子液体[C_nmim][H₂PO₄] (n= 3, 4, 5, 6) (1-烷基-3-甲基咪唑磷酸盐)在水中不同浓度的摩尔溶解热(Δ_solH_m),根据Pitzer电解质溶液理论计算得到了标准摩尔溶解焓(Δ_solH_m⁰)和Pitzer焓参数：β_MX^(0)L, β_MX^(1)L,和C^ϕL,并计算了表观相对摩尔焓。通过推导讨论,得到了离子液体[C_nmim][H₂PO₄](n= 3, 4, 5, 6)同系物每摩尔亚甲基对标准摩尔溶解焓的贡献。     

不同结构绝对光栅尺的误码机制研究

针对光栅尺具有断电位置复位、无累计误差、高精度优点,在光学隔振平台上分别建立开放式和封闭式绝对光栅尺实验系统,绝对光栅尺采用图像识别原理,以气浮直线电机ArotechABL1500为参考对象,使用激光干涉仪RENISHAW XL-80校核精度,研究不同结构绝对光栅尺的误码特点及原因。通过对比实验及研究分析,表明封闭式绝对尺相对于开放式绝对尺的误码率要高,开放式绝对式光栅尺的误码率为3%,封闭式绝对式光栅尺的误码率为8%。     

Al2O3改性Ba(Fe0.5Nb0.5)O3复合陶瓷制备与性能研究

采用草酸盐共沉淀法成功合成了Ba(Fe0.5Nb0.5)O3 (BFN)纳米粉体,并采用sol-gel法获得Al2O3改性的BFN复合粉体,于1150℃两步烧结3h获得复合陶瓷,研究了Al2O3添加对BFN陶瓷微观形貌和介电性能的影响.结果表明:BFN · xAl2O3(x=4wt;,6wt;,8wt;)复合粉体颗粒分布均匀,粒径约为50 nm.Al2O3的加入可明显降低陶瓷的烧结温度.Al2 O3添加量为4wt;的复合陶瓷有高的介电常数,较小的介电损耗和良好的温度稳定性.BFN·xAl2O3复合陶瓷中存在的介电弛豫行为符合Arrhenius定律,是一个热激活过程,随着x的增加,复合陶瓷的激活能逐渐增大,这与无定形Al2O3增加了陶瓷的弛豫势垒,使界面极化减弱相关.     

MFI/MFI核壳分子筛合成的影响因素及结晶动力学

以低硅铝比ZSM-5 为核, 采用二次生长法水热合成了MFI/MFI核壳分子筛. 发现对核相分子筛进行预处理是合成的关键步骤. 通过控制壳相合成过程(如合成温度、合成时间和核相分子筛加入量)可有效控制核壳分子筛的壳层生长. 以异丙苯(IPB)及1,3,5-三异丙苯(1,3,5-TIPB)裂解为探针反应, 发现与核相分子筛相比, 核壳分子筛的IPB裂解反应活性相当. 而1,3,5-TIPB裂解活性下降68%, 与外表面Al含量下降程度相近, 表明MFI/MFI核壳分子筛较好地保留了分子筛的核相反应活性. 结晶动力学计算结果表明, MFI/MFI核壳分子筛的成核活化能为51.5 kJ·mol-1, 生长活化能为26.5 kJ·mol-1.     

生物质基油水分离膜的应用现状及前景展望

随着当前全球石化行业的快速发展,水资源的短缺和工业废水排放的增长已经极大地阻碍了社会和环境的可持续性发展。含油废水是其中占比最大也是比较难处理的一种废水,膜分离法是目前处理含油废水的有效方法之一。而目前市场上主流的油水分离膜部分或全部使用了不可再生和非降解性原料,会对环境造成二次污染。以生物质材料为主要原材料的生物质基油水分离膜以其绿色、可持续、高效、可降解等优势得到了极大地关注。本文从生物质基油水分离膜的生物质来源、种类、相应的制备及改性方法、应用研究现状及主要问题进行论述,对未来生物质基油水分离膜的前景进行展望。     

Rare-Earth Chalcogenides: A Large Family of Triangular Lattice Spin Liquid Candidates

Frustrated quantum magnets are expected to host many exotic quantum spin states like quantum spin liquid(QSL), and have attracted numerous interest in modern condensed matter physics. The discovery of the triangular lattice spin liquid candidate YbMgGaO_4 stimulated an increasing attention on the rare-earth-based frustrated magnets with strong spin-orbit coupling. Here we report the synthesis and characterization of a large family of rare-earth chalcogenides AReCh_2(A = alkali or monovalent ions, Re = rare earth, Ch = O,S,Se). The family compounds share the same structure(R3 m) as YbMgGaO_4,and antiferromagnetically coupled rare-earth ions form perfect triangular layers that are well separated along the c-axis. Specific heat and magnetic susceptibility measurements on NaYbO_2,NaYbS_2 and NaYbSe_2 single crystals and polycrystals, reveal no structural or magnetic transition down to 50 mK. The family, having the simplest structure and chemical formula among the known QSL candidates, removes the issue on possible exchange disorders in YbMgGaO_4. More excitingly, the rich diversity of the family members allows tunable charge gaps, variable exchange coupling, and many other advantages.This makes the family an ideal platform for fundamental research of QSLs and its promising applications.     

Bi_xBa_(1-x)TiO_3电子及能带结构的第一性原理研究

采用基于第一性原理的赝势平面波方法,研究了ABO_3钙钛矿复合氧化物BaTiO_3中A位离子被Bi原子取代后对其构型、电子及能带结构的影响.计算结果表明,Bi取代Ba之后会降低BaTiO_3的对称性,空间点群随着取代量的变化而变化,结合能逐渐降低.通过能带结构的计算发现Bi_xBa_(1-x)TiO_3为直接带隙型半导体.Bi的取代可调节Bi_xBa_(1-x)TiO_3的禁带宽度,从x=0.125到x=0.625时,Bi的取代量越大,其带隙越宽,吸收光谱蓝移.x0.625时,禁带宽度又逐渐减小,吸收光谱红移.由态密度图可看出,其价带顶主要是O-2p与Bi-6s态杂化而成,导带底主要由Ti-3d态构成.     

Community detection in signed networks based on discrete-time model

Community detection in signed networks has been studied widely in recent years. In this paper, a discrete difference equation is proposed to imitate the consistently changing phases of the nodes. During the interaction, each node will update its phase based on the difference equation. Each node has many different nodes connected with it, and these neighbors have different influences on it. The similarity between two nodes is applied to describe the influences between them. Nodes with high positive similarities will get together and nodes with negative similarities will be far away from each other.Communities are detected ultimately when the phases of the nodes are stable. Experiments on real world and synthetic signed networks show the efficiency of detection performance. Moreover, the presented method gains better detection performance than two existing good algorithms.     

基于一种简化剪切变形理论的层合梁自由振动分析

复合材料层合梁在航天航空、核工程、高速列车、建筑等领域有着重要的应用,其振动特性得到了广泛关注。本文针对复合材料层合梁结构,引入了一种新的简化剪切变形理论;同时考虑层间连续性条件,结合Ritz法求解了其振动频率,并与已有文献结果进行了对比。结果表明:两者吻合较好,误差基本保持在1%左右,验证了理论模型的有效性。基于该理论模型,重点研究了铺层方式、纤维铺设角度等关键参数对层合梁振动特性的影响。研究结果表明:对称铺设层合梁的一阶固有频率均高于非对称铺设层合梁的一阶固有频率,且随着铺设层数的增加,其振动频率会趋于稳定值;对比不同铺设角度的层合梁,纤维铺设角度为90°的层合梁的一阶固有频率最低。