爆轰波对碰驱动平面锡飞层的动力学及动载行为特征研究

强冲击下的物质变形、破坏及诱发的轻重介质混合问题,是内爆压缩科学和工程应用领域的研究重点.本文针对爆轰波对碰条件下的复杂加载动力学过程及其动载破坏形态特征,开展数值模拟研究与极曲线理论分析.设计了爆轰波对碰驱动平面锡飞层的计算模型,获得了爆轰加载动力学过程及波系相互作用物理图像,分析了锡飞层对碰区自由表面速度历史的典型特征.给出了锡飞层中折射激波对碰发生马赫反射的临界条件,解读了三波结构的传播行为,阐明了对碰区内存在"一维正冲击"区域,一维区外存在单次斜冲击向两次斜冲击过渡的复杂加载动力学过程,提出了对碰区冲击动力学模型,揭示了影响对碰区动载行为特征的机理.数值模拟结果与极曲线理论分析结果相互印证,符合较好.本文的研究成果,将为深入理解和解读对碰区特殊的物质破坏及混合现象提供重要的理论支撑.     

Miscibility in poly(L-lactide)- b -poly( $ \upvarepsilon$ -caprolactone) double crystalline diblock copolymers

Thermally stimulated depolarization currents, TSDC, wide-angle X-ray scattering, WAXS, differential scanning calorimetry, DSC, and polarized light optical microscopy, PLOM, have been used to examine poly(L-lactide)-b -poly( -caprolactone) diblock copolymers in a wide composition range. Both components are crystallizable and the miscibility in the amorphous phase has been determined from the behavior of the primary relaxations which are the dielectric manifestation of the glass transition, and also from the superstructural morphology revealed by PLOM and the compositional dependence of the melting points as determined by DSC. Distinct segmental mobilities in the amorphous phase which can be well resolved by TSDC are present; the mode of the slower component shifts to lower temperatures as the PCL content increases while the glass transition of neat PCL is present for all compositions. A relaxation times bimodal distribution is apparent for PCL-rich copolymers. The composition dependence of the multiple glass transitions detected in these weakly segregated copolymers are predicted by the self-concentration model for a miscible blend made of components with a large T_g contrast.     

An axial flow cyclone to remove nanoparticles at low pressure conditions

In this study, the axial flow cyclone used in Tsai et al. (2004) was further tested for the collection efficiency of both solid (NaCl) and liquid (OA, oleic acid) nanoparticles. The results showed that the smallest cutoff aerodynamic diameters achieved for OA and NaCl nanoparticles were 21.7 nm (cyclone inlet pressure: 4.3 Torr, flow rate: 0.351 slpm) and 21.2 nm (5.4 Torr, 0.454 slpm), respectively. The collection efficiencies for NaCl and OA particles were close to each other for the aerodynamic diameter ranging from 25 to 180 nm indicating there was almost no solid particle bounce in the cyclone. The 3-D numerical simulation was conducted to calculate the flow field in the cyclone and the flow was found to be nearly paraboloid. Numerical simulation of the particle collection efficiency based on the paraboloid flow assumption showed that the collection efficiency was in good agreement with the experimental data with less than 15% of error. A semi-empirical equation for predicting the cutoff aerodynamic diameter at different inlet pressures and flow rates was also obtained. The semi-empirical equation is able to predict the cutoff aerodynamic diameter accurately within 9% of error. From the empirical cutoff aerodynamic diameter, a semi-empirical square root of the cutoff Stokes number, , was calculated and found to be a constant value of 0.241. This value is useful to the design of the cyclone operating in vacuum to remove nanoparticles.     

Inhibition of two Cu(II) and Mn(II) coordination polymers on the surgical site infections by inhibiting the bacterial biofilm formation

Within this work, two novel Cu(II) and Mn(II)-based coordination polymers (CPs) along with chemical compositions of {[Cu₂(L¹)(1,4-NDC)₂]·3H₂O}_n (1, 1,4-H₂NDC = Naphthalene-1,4-dicarboxylic acid, L¹ ​= ​di(1H-imidazole-1-yl)methane) and [Mn₃(L²)₂(H₂O)₂(1,4-NDC)₂]_n (2, L² ​= ​1,4-di(1H-imidazole-1-yl)benzene) have been completed in success via related metal salts reaction with 1,4-H₂NDC ligand in existence of various N-donor co-ligands. We discovered its application values on the surgical site infections (SSI) along with corresponding mechanism in the interim. We evaluated inflammatory cytokines released into the urine through ELISA detection kit after compound treatment. Then, we discovered the inhibitory effect of compound on the bacterial biofilm formation via real time RT-PCR.     

中空多壳层结构在电磁波领域中的应用

中空多壳层结构(HoMSs)是一种以纳米颗粒为结构单元构筑而成的具有多界面、 多维度的微纳米级宏观组装体, 具有次序排列的多个壳层及相互连通的多个空腔, 被认为是电磁波领域极具应用前景的功能材料. 本文主要从电磁波捕获、 传输及能量转换3个角度详细阐述HoMSs在电磁波领域应用中的独特优势, 浅析了HoMSs壳层数目、 壳层厚度、 壳层间距、 壳层组成等结构参数对电磁波传输与利用的影响规律, 并预测了HoMSs在电磁波领域的发展趋势, 以期为实现电磁波的高效利用提供参考.     

FER分子筛中铝原子的受限落位

分子筛是一类具有规则孔道或笼状结构的多孔材料,因其独特的结构和可调的酸性而广泛用于石油化工、精细化学品合成、现代煤化工等诸多行业.2006年Iglesia等在具有8元环孔道结构/侧口袋的FER和MOR分子筛上实现了无卤素添加、无贵金属存在条件下,由二甲醚羰基化合成乙酸甲酯的反应.乙酸甲酯通过进一步加氢可实现煤基乙醇的绿色生产.MOR分子筛通常具有较高的催化活性,但失活迅速;FER分子筛表现出良好的催化稳定性,但活性较低.如何在保证FER分子筛稳定性的前提下,进一步提升其羰基化活性是目前研究的热点.前期理论和实验研究发现,二甲醚羰基化反应活性与分子筛8元环孔道中的Br?nsted酸位密度存在正相关.因此,通过优化合成条件,选择性调控铝原子分布在"ferrierite"笼中,可以提高FER分子筛的羰基化反应活性.尽管研究者已在调节FER分子筛铝分布方面进行了大量研究,但对于不同T位上Al原子的精准识别以及对应Br?nsted酸位的可接触性还缺少系统和深入的认识.本文选取了几种代表性模板剂,分别在碱性和含氟体系下制备了系列FER分子筛样品,利用Rietveld精修和模拟退火算法,在原子水平揭示了模板剂种类以及合成介质变化对Al原子在不同T位分布的影响,并结合二甲醚羰基化反应进行了结构和性能的关联.首先选取不同尺寸大小的环状胺(环己胺、哌啶、吡啶、吡咯烷)和链状胺(乙二胺)合成了具有相似形貌、孔结构、酸密度的系列FER分子筛样品.以CHA-Na-FER为例,PXRD精修结果显示,Na+(平衡35％的骨架负电荷)分布在10元环孔道中与O1形成氢键,质子化的环己胺分布在"ferrierite"笼中,并且环己胺上的N与O3形成氢键.这说明与O1相连的T3位以及与O3相连的T1位都有可能是Al富集的位置.为了进一步验证该结论,本文还精修了吸附探针分子吡啶的样品CHA-Na-FER-Py-60h.原粉以及吸附吡啶样品的精修结果表明,T1位和T3位是样品中铝富集的位置.随后,运用相同方法研究了Py-Na-FER,PI-Na-FER,En-Na-FER和Pyrr-HF-FER样品中的Al落位,发现T1/T3位均是样品中Al富集的位置.此外,理论计算结果表明T1/T3位上Al原子的取代能较低,说明Al优先取代T1/T3位上的Si,这与精修结果相一致.前期理论模拟结果表明,FER分子筛中T2-O5和T4-O7位点的CO插入反应能垒较低,是二甲醚羰基化反应的活性位.本文吡啶吸附实验、热重分析以及PXRD精修结果表明,FER分子筛中大部分Al富集在T1/T3位,与T2/T4位相关的Br?nsted酸约占18％～30％.最后,对各样品进行了二甲醚羰基化反应评价,结果显示PI-Na-FER,Py-Na-FER,En-Na-FER和CHA-Na-FER催化剂的乙酸甲酯生成速率相近,约为0.10 mol/(mol H+?h).Pyrr-HF-FER催化剂的乙酸甲酯生成速率最高,可达到0.16 mol/(mol H+?h),这可能是由于Pyrr-HF-FER催化剂具有更多T2/T4位相关的Br?nsted酸.虽然Pyrr-HF-FER催化剂的乙酸甲酯生成速率较其他四个催化剂有一定提升,但其仍远低于MOR分子筛上乙酸甲酯生成速率(0.40 mol/(mol H+·h)).综上,有机模板剂的选择与合成介质的改变对FER分子筛中Al分布的调控作用是有限的,即Al原子总是优先分布于T1/T3位.而与T1和T3位相关的Br?nsted酸位不是二甲醚羰基化反应的活性位点.因此与MOR相比,FER分子筛在二甲醚羰基化反应中表现出较低的催化活性.     

Sarcaglarols A—D,Lindenane−Monoterpene Heterodimers from Sarcandra glabra Based on Molecular Networks

Sarcaglarols A—D ( 1 — 4 ), two pairs of lindenane?monoterpene heterodimers fused by a 1,2‐dioxane moiety, were discovered and isolated from the leaves of Sarcandra glabra guided by MS/MS molecular networking‐based strategy. Their planar structures, absolute configurations of basic skeleton and flexible polyhydric side chain were established by analysis of HRESIMS, NMR spectroscopic data, ECD spectrum, and the X‐ray diffraction study of isopropylidene derivatives. An intermolecular [2+2+2] cycloaddition may play a key role in the biosynthesis pathway of the 1,2‐dioxane moiety fused lindenane?monoterpene heterodimer skeleton, which can be recognized as the biogenetic precursors of our previous reported lindenane?normonoterpene conjugates. In addition, compounds 1 , 3 and 4 exhibited moderate inhibitory effects of lipid accumulation in free fatty acid‐exposed L02 cells.     

High-resolution transmission electron microscopy study on reversion of Al2CuMg precipitates in Al–Cu–Mg alloys under irradiation

Image deconvolution analyses showed that reversion of S-Al₂CuMg precipitates occurred in an Al–Cu–Mg alloy during high-resolution transmission electron microscopy observations. A fraction of Mg and Cu atoms in the precipitates diffused into Al matrix due to electron beam irradiation at 300 kV, resulting in structural/chemical reversion of the precipitates. The structural reversion of the S-Al₂CuMg precipitates is closely related with irradiation-induced displacement of atoms. The strong attraction between Cu and Mg atoms might assist the sub-threshold displacement of Cu atoms. One transitional structure is determined to be S′′-Al₁₀Cu₃Mg₃, a precursor of S-Al₂CuMg. Two other transitional structures, Al₃CuMg and Al₁₈Cu₅Mg₅ which have the same lattice parameters of a = c = 0.405 nm as that of S′′-Al₁₀Cu₃Mg₃, but different b values, are suggested.     

立体角在结构化学中的应用

The concept of solid angle is used to explain the necessary and sufficient conditions for a three-dimensional gapless structure to be achieved by combining one or several polyhedrons. In this paper, the solid angle and dihedral angle of the common regular polyhedron and the common Archimedean semi regular polyhedron are presented, and the examples of structural chemistry are analyzed. In space, the sum of solid angles must be equal to 4π(sr), so by simply adding, we can judge the possibility of gapless accumulation, know the common situation of each point, and then deduce the space structure. By using this method, we can predict some structures that do not exist yet.     

基于“1+2”模式的结构化学课程在线教学实践

Since the outbreak of novel coronavirus pneumonia (NCP) at the beginning of this year, Chinese government acted immediately and made some regulations to control the epidemic NCP and promote the recovery of society and industry including education. Chinese universities stayed on the online courses without suspension on teaching and learning. Herein, we report online teaching of structural chemistry course based on the teaching mode of online live broadcast platform, online course resources and management platforms ("1 + 2" mode). This may promote online teaching, and take advantage of online live broadcast and massive open online courses, which achieves good teaching and learning experiences on structural chemistry course.