新型3-烷氧基-四取代氧化吲哚的无催化剂无溶剂合成

以3-氯氧化吲哚和甲醇（或甘油）为原料，在无催化剂无溶剂条件下经S_N1反应合成了10个新型的3-甲氧基-四取代氧化吲哚(产率36%~93%)和10个新型的3-甘油拼接四取代氧化吲哚（产率71%~87%）,其结构经¹H NMR, C N¹³MR和HR-MS（ESI-TOF）表征。     

NUMERICAL PREDICTION OF PROCESS-INDUCED RESIDUAL STRESSES IN GLASS BULB PANEL

A numerical simulation model for predicting residual stresses which arise during the solidification process of pressed glass bulb panel was developed. The solidification of a molten layer of glass between cooled parallel plates was used to model the mechanics of the buildup of residual stresses in the forming process. A thermorheologically simple thermoviscoelastic model was assumed for the material. The finite element method employed was based on the theory of shells as an assembly of flat elements. This approach calculates residual stresses layer by layer like a truly three-dimensional calculation, which is well suited for thin pressed products of complex shape. An experimental comparison was employed to verify the proposed models and methods.     

PELE贯穿薄靶后外壳破片径向速度计算方法与影响因素分析

基于横向效应增强型弹丸(PELE)侵彻金属薄靶板过程分析,将弹体前端在撞击作用下的变形过程分解为轴向一维压缩和径向自由膨胀两个变形阶段;依据冲击波理论,给出了弹体前端的冲击波压缩势能,由功能转化原理,给出了PELE前端外壳在靶后形成破片的最大径向飞散速度计算公式。计算结果在多种工况下均与文献的实验结果较为一致。计算结果表明:PELE靶后外壳破片的最大径向飞散速度与外壳和内芯材料的体积模量和泊松比有关,且随二者的增大而增大;PELE外壳破片的最大径向飞散速度是壳体和内芯在冲击波压缩作用下共同径向膨胀的结果,且外壳膨胀能在弹体整体膨胀能中所占比例较大,计算中应当同时考虑弹体外壳和内芯材料的横向膨胀效应对弹体破片径向飞散速度的影响。     

正交轨线问题的计算机代数研究

用数学软件 Mathematica 3.0实现单参数曲线族的正交轨线的求解 .使常微分方程中的这一类常见问题得到迅速的解决     

Wendroff的一个不等式的证明

对Wendroff的一个不等式用逐逼近法给出一种证明。     

PMMA掺杂对P3HT/P(VDF-TrFE)复合薄膜阻变性能影响研究

Organic semiconducting/ferroelectric blend films attracted much attention due to their elec-trical bistability and rectification properties and thereof the potential in resistive memory devices. Blend films were usually deposited from solution, during which phase separation oc-curred, resulting in discrete semiconducting phase whose electrical property was modulated by surrounding ferroelectric phase. However, phase separation resulted in rough surface and thus large leakage current. To further improve electrical properties of such blend films, poly(methyl metacrylate) (PMMA) was introduced as additive into P3HT/P(VDF-TrFE) semiconducting/ferroelectric blend films in this work. It indicated that small amount of PMMA addition could effectively enhance the electrical stability to both large electrical stress and electrical fatigue and further improve retention performance. Overmuch PMMA addition tended to result in the loss of resistive switching property. A model on the con-figuration of three components was also put forward to well understand our experimental observations.     

铜催化草酸二甲酯加氢副产物1,2-丙二醇生成机理的DFT研究

利用密度泛函理论对Cu(111)及Cu₂O(111)表面上草酸二甲酯加氢副产物1,2-丙二醇(1,2-PDO)的生成机理进行了探究,计算了两种表面上1,2-PDO生成的不同反应路径基元步骤的热力学数据以及所涉及物种的吸附行为,进行了局域态密度以及差分电荷密度分析,阐明了铜催化剂的主要活性位点及1,2-PDO生成的主要路径。结果表明,1,2-PDO主要由乙二醇和甲醇于Cu₂O(111)表面通过Guerbet醇缩合反应生成,具体包括醇脱氢、羟醛缩合以及不饱和醛加氢三个过程。Cu₂O(111)表面Cu_us⁺及O_suf^-位点形成的Lewis酸碱对能够促进反应物、产物及反应中间体的吸附且对于1,2-PDO生成过程的整体催化活性更高。Cu₂O(111)表面的O_suf^-位点是醇类脱氢生成醛、羟醛缩合过程中生成烯醇物种以及不饱和醛类中间体加氢的主要活性中心,而C-C偶联反应则发生在Cu...     

一类线性抛物型方程组的特征有限元方法

本文应用特征有限元方法处理一类一维有界区域上的抛物型方程组,由于是第一类边界条件,对对流项系数作出假设,则避免了处理区域外的情况,最后给出收敛性定理.从误差结果看出,应用特征有限元可以增加时间步长,而不降低精度,数值实验也证实了这一点.     

ON THE PARTIAL STABILITY OF IMPULSIVE DIFFERENTIAL EQUATIONS

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基于三阶段SBM-DEA模型的中国区域碳排放效率研究

结合非期望产出的SBM-DEA模型与SFA方法,提出基于非期望产出的三阶段SBM-DEA模型,用于对全要素碳排放效率的测算。该模型具有非径向和非角度的特点,而且能剔除外部环境和随机因素的影响,使效率评价更接近实际情况。运用该模型对2000~2012年我国各区域二氧化碳排放绩效进行了评价与分析。结果表明,全国平均碳排放效率不高,但从2006年呈现加速上升趋势,表现了低碳经济良好的发展态势。剔除外部环境和随机因素影响后的碳减排效率将进一步下降。分区域来看,我国碳排放效率呈现出“东>中>西”的格局,且东部的优势有所扩大。基于对投入、产出冗余以及外部环境因素影响的分析表明,提升能源、资本、人员的配置效率,加强东部地区与中西部地区之间的人才和技术交流,有利于提升碳排放效率。
关键词:碳排放效率;三阶段DEA;SBM模型;SFA回归