水煤浆球在异密度热态流化床内的破碎规律

通过改变床层温度、流化数和床料高度等运行参数,考察热态流化床内水煤浆固化颗粒的热破碎规律,分析运行参数对其粒度变化率Fd的影响.结果表明,床层温度越高对热破碎越有利,流化数则存在一个最佳值,床料高度应在阻力允许的情况下采用较大值.利用灰色关联分析方法,讨论了不同流化时间内运行参数对Fd的影响程度,发现在15 s以前流化数影响最大,30 s及以后床层温度的影响最大,在整个流化时间内床料高度的影响都是最小的.

涤纶三异混纤丝试验方法研究

本文着重对表征涤纶三异混纤丝(以下简称涤纶“三异丝”)特性的异截面异线密度比、异收缩率差三指标进行了试验分析研究,并提出了较为合理的试验方法。

石英砂热形态和表面微观结构

使用由德国生产的LEIAZ-ⅡA型高温热显微镜对异密度循环流化床床料——石英砂在加热过程中所表现出的熔融特性和热膨胀特性进行了研究。高纯度石英砂在升温过程（室温～1600℃）中存在3个相对独立的特征温度区间：缓慢膨胀区（室温～870℃），在此区间试样尺寸变化比较均匀，线膨胀速率k比较小；膨胀停滞区（1000-1350℃）内，试样的体积和形状几乎不随温度的升高而改变，k在此区间近于零；快速膨胀区（1400-1550℃）内，k在此区间突然增大，形成一个陡峭的波峰。升温过程中高纯度石英砂试样的膨胀特性与其多晶型转变温度有对应关系。通过不同纯度两个试样的对比实验发现，纯度直接影响石英砂的熔融特性，纯度高，则相应的特征温度值高。利用HITACHIS2150型扫描电子显微镜（SEM）对加热到不同终端温度并冷却到室温的高纯度石英砂颗粒亚稳相的微米级表面结构进行观察，当终端温度进入快速膨胀区后，试样由于剧烈的膨胀在表面和内部产生大量微观裂纹，大量微观裂纹的存在导致试样的力学性能急剧下降，表现为弹性能力的消失。

油污泥的循环流化床焚烧和资源化利用

目前,焚烧工艺被世界各国认为是污泥处理中的最佳实用技术之一。针对我国油田的油污泥情况,提出一种采用异密度循环流化床燃烧技术处理油污泥的方法。该方法能以较低的运行成本对油污泥进行资源化洁净利用,降低石油开采成本,实现危险污染物的无害化、减量化、资源化处理,解决环境污染问题。详细介绍了流化床焚烧处理的工艺流程、技术特点和1台20 t/h循环流化床焚烧油污泥锅炉的设计参数和结构。

Transformations and Tautomeric Equilibrium among Different Intermediates in Proline-Catalyzed Reactions of Aldehydes or Ketones

The enamines, iminium ions, and oxazolidinones are thought to be the key intermediates in the proline-catalyzed reactions of aldehydes or ketones, but there is an extensive contro- versy about their roles. Here, the corresponding transition states connecting any two of the three kinds of species are located at the wB97XD/6-311＋＋G＊＊ level of theory. The calcula- tions demonstrate that the oxazolidinones are the predominant species in both the gas phase and solvents; there exists tautomeric equilibrium among these species and the equilibriums are controlled by the employed solvents and temperature in the reaction. These results demonstrate that the concentration and role of the mentioned species are controlled by the employed solvent and temperature. A new reaction pathway is presented herein for the trans- formation between iminium ions and oxazolidinones through iminium ion-water complex and oxazolidinone-water complex. The calculations demonstrate that the rate-limiting step in proline-catalyzed Mannich reaction between acetaldehyde/keteones and N-Boc imines is the formation of the C-C bond rather than the intermediates tautomerization. These calculations rationalize the available experimental observations and can be valuable in optimizing the experimental conditions of asymmetric organic-catalyzed reactions of aldehydes or ketones.

微藻异养高密度培养研究进展与发展趋势

微藻细胞可以积累大量油脂、蛋白质、多糖、色素、不饱和脂肪酸等物质,在能源、食品、饵料、保健品及药品等行业有巨大的应用价值。然而,微藻在传统光自养模式下很难实现高密度培养来大量生产这些重要的物质,进而限制了微藻的实际应用。相反,微藻在异养模式下生长速度快、生物质浓度高,可以短时间内获得大量微藻生物质。因此,异养高密度培养微藻具备大规模、高效率培养微藻生产目标产物的巨大潜力。阐述微藻异养培养的优缺点及相应技术难点的解决思路、影响微藻异养生长及目标产物积累的主要营养因子和环境因子、微藻异养高密度培养的方式及微藻异养高密度培养的当前发展水平。结合文献报道分析微藻异养高密度培养的四个具有极大发展潜力的发展方向,以期更好地利用异养模式来高效率、低成本培养微藻生产大量目标产物,满足上述多个行业对微藻原材料的巨大需求,从而加速微藻产业的发展。

Anisotropy of Thermal-expansion for β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine： Quantum Chemistry Calculation and Molecular Dynamics Simulation

Molecular dynamics simulations on octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine （HMX） at 303-383 K and atmospheric pressure are carried out under NPT ensemble and COMPASS force field, the equilibrium structures at elevated temperatures were obtained and showed that the stacking style of molecules don＇t change. The coefficient of thermal expansion （CTE） values were calculated by linear fitting method. The results show that the CTE values are close to the experimental results and show anisotropy. The total energies of HMX cells with separately increasing expansion rates （100%-105%） along each crystallographic axis was calculated by periodic density functional theory method, the results of the energy change rates are anisotropic, and the correlation equations of energy change-CTE values are established. Thus the hypostasis of the anisotropy of HMX crystal＇s thermal expansion, the determinate molecular packing style, is elucidated.

涤纶仿毛长丝产品的开发与应用

介绍涤纶长丝的仿毛机理 ,并介绍了从纤维角度开发和从后加工角度开发的目前市场常见的几种涤纶仿毛长丝的品种 ,及涤纶长丝仿毛织物前准备。

Electron Momentum Spectroscopy of Outer Valence Orbitals of 2-Fluoroethanol

The binding energy spectra and electron momentum distributions for the outer valence molecular orbitals of gaseous 2-fluoroethanol have been measured by the non-coplanar asym- metric （e, 2e） spectrometer at impact energy of 2.5 keV plus binding energy. The quantitative calculations of the ionization energies and the relevant molecular orbitals have been carried out by using the outer-valence Green＇s function method and the density functional theory with B3LYP hybrid functional. The observed ionization bands in binding energy spectra, as well as the previous photoelectron spectrum which was not assigned, have been assigned for the first time through the comparison between experiment and theory. In general, the the- oretical electron momentum distributions calculated by B3LYP method with aug-cc-pVTZ basis set are in line with the experimental ones when taking into account the Boltzmann- weighted thermo-statistical abundances of five conformers of 2-fluoroethanol.

Excited State Properties of Fluorine-Substituted Hexabenzocoronene： A Quantum-Chemical Characterization

The first fluorine-substituted hexabenzocoronene has been synthesized and its electronic structure and optical properties have been reported [Q. Zhang, et al., Org. Lett. 7 （2005） 5019]. In this letter, the electronic structure and excited state properties of the fluorine-substituted hexabenzocoronene are studied with quantum chemistry method as well as the transition and the charge difference densities. The transition densities show the orientations and strength of the dipole moments and the charge difference densities reveal the orientation and results of the intramolecular charge transfer. The calculated transition energies and oscillator strengths are consistent with the experimental data, and the theoretical results of transition and charge difference densities are valuable to understanding the excited state properties of the fluorine-substituted hexabenzocoronene.

Structures and Electronic Properties of Cu_N (N≤13) Clusters

A systematic study on the structures and electronic properties of copper clusters has been performed using the density functional theory. In the calculation, there are many isomers near the ground state for small copper clusters. Our results show that the three-dimensional isomers of copper clusters start from Cu7 cluster and then show a tendency to form more compact structures. The results of the formation energy and the second derivative of binding energy with duster size show that besides N = 8, N =11 is also a magic number. Furthermore, it is the first time to find that the ground state of 11-atom clusters is a biplanar structure as same as the 13-atom cluster. The clear odd-even alternation as cluster size for the formation energy indicates the stability of electronic close shell existed in the range studied.

渤海海域常压油藏实测地层压力与流体性质关系

研究渤海海域诸多常压油藏的连续电缆测压数据发现,油层顶部实测地层压力数据增压现象普遍表现为实测地层压力不同程度高于其等深折算压力,压力—深度线性关系存在不确定性、流体性质认识不清。将水静力学基本原理、等压面概念拓展到常压油藏"U形水银测压计"物理模型,并建立地层压力—原油密度函数关系,理论上证明地层压力与原油密度为反比关系、油层顶部增压的原因是地层原油密度相对偏低。进一步结合原油PVT与连续测压数据并证实:(1)原油密度分异是常压油藏油层顶部增压的关键,同时连续测压数据能够反映常压油藏单相流体密度分异特征;(2)增压段(纯油区顶部)原油密度低于非增压段(中—深部),实测地层压力高于等深折算压力即出现增压;(3)非增压段(纯油区中—深部)原油密度相对稳定,实测地层压力与其折算压力接近。明确常压油藏实测地层压力与流体性质关系,利于合理解释压力—深度关系、精细研究流体性质与分布规律。

A new algorithm for estimating gillnet selectivity

The estimation of gear selectivity is a critical issue in fishery stock assessment and management.Several methods have been developed for estimating gillnet selectivity,but they all have their limitations,such as inappropriate objective function in data fitting,lack of unique estimates due to the difficulty in finding global minima in minimization,biased estimates due to outliers,and estimations of selectivity being influenced by the predetermined selectivity functions.In this study,we develop a new algorithm that can overcome the above-mentioned problems in estimating the gillnet selectivity.The proposed algorithms include minimizing the sum of squared vertical distances between two adjacent points and minimizing the weighted sum of squared vertical distances between two adjacent points in the presence of outliers.According to the estimated gillnet selectivity curve,the selectivity function can also be determined.This study suggests that the proposed algorithm is not sensitive to outliers in selectivity data and improves on the previous methods in estimating gillnet selectivity and relative population density of fish when a gillnet is used as a sampling tool.We suggest the proposed approach be used in estimating gillnet selectivity.

Electronic Structures and Thermoelectric Properties of Two-Dimensional MoS2/MoSe2 Heterostructures

Thermoelectric properties of bulk and bilayer two-dimensional （2D） MoS2/MoSe2 het- erostructures are investigated using density functional theory in conjunction with semi- classical Boltzmann transport theory. It is predicted that the bulk 2D heterostructures could considerably enhance the thermoelectric properties as compared with the bulk MoSe2. The enhancement originates from the reduction in the band gap and the presence of interlayer van der Waals interactions. We therefore propose the 2D MoS2/MoSe2 heterostructures as a possible candidate material for thermoelectric applications.

Regional Variation in Carbon Sequestration Potential of Forest Ecosystems in China

Enhancing forest carbon(C) storage is recognized as one of the most economic and green approaches to offsetting anthropogenic CO_2 emissions. However, experimental evidence for C sequestration potential(C_(sp)) in China's forest ecosystems and its spatial patterns remain unclear, although a deep understanding is essential for policy-makers making decisions on reforestation. Here, we surveyed the literature from 2004 to 2014 to obtain C density data on forest ecosystems in China and used mature forests as a reference to explore C_(sp). The results showed that the C densities of vegetation and soil(0–100 cm) in China's forest ecosystems were about 69.23 Mg C/ha and 116.52 Mg C/ha, respectively. In mature forests, the C_(sp) of vegetation and soil are expected to increase to 129.26 Mg C/ha(87.1%) and 154.39 Mg C/ha(32.4%) in the coming decades, respectively. Moreover, the potential increase of C storage in vegetation(10.81 Pg C) is estimated at approximately twice that of soil(5.01 Pg C). Higher C_(sp) may occur in the subtropical humid regions and policy-makers should pay particular attention to the development of new reforestation strategies for these areas. In addition to soil nutrients and environment, climate was an important factor influencing the spatial patterns of C density in forest ecosystems in China. Interestingly, climate influenced the spatial patterns of vegetation and soil C density via different routes, having a positive effect on vegetation C density and a negative effect on soil C density. This estimation of the potential for increasing forest C storage provided new insights into the vital roles of China's forest ecosystems in future C sequestration. More importantly, our findings emphasize that climate constraints on forest C sequestration should be considered in reforestation strategies in China because the effects of climate were the opposite for spatial patterns of C density in vegetation and soil.Enhancing forest carbon(C) storage is recognized as one of the most economic and green approaches to offsetting anthropogenic CO2 emissions. However, experimental evidence for C sequestration potential(Csp) in China's forest ecosystems and its spatial patterns remain unclear, although a deep understanding is essential for policy-makers making decisions on reforestation. Here, we surveyed the literature from 2004 to 2014 to obtain C density data on forest ecosystems in China and used mature forests as a reference to explore Csp. The results showed that the C densities of vegetation and soil(0–100 cm) in China's forest ecosystems were about 69.23 Mg C/ha and 116.52 Mg C/ha, respectively. In mature forests, the Csp of vegetation and soil are expected to increase to 129.26 Mg C/ha(87.1%) and 154.39 Mg C/ha(32.4%) in the coming decades, respectively. Moreover, the potential increase of C storage in vegetation(10.81 Pg C) is estimated at approximately twice that of soil(5.01 Pg C). Higher Csp may occur in the subtropical humid regions and policy-makers should pay particular attention to the development of new reforestation strategies for these areas. In addition to soil nutrients and environment, climate was an important factor influencing the spatial patterns of C density in forest ecosystems in China. Interestingly, climate influenced the spatial patterns of vegetation and soil C density via different routes, having a positive effect on vegetation C density and a negative effect on soil C density. This estimation of the potential for increasing forest C storage provided new insights into the vital roles of China's forest ecosystems in future C sequestration. More importantly, our findings emphasize that climate constraints on forest C sequestration should be considered in reforestation strategies in China because the effects of climate were the opposite for spatial patterns of C density in vegetation and soil.

Inhibitory Effect of Isorhapontigenin on Copper-Mediated Peroxidation of Human Low-Density Lipoprotein in vitro

Aim To study the effect of Isorhapontigenin (Iso) on copper-mediatedperoxidation of human low-density lipoprotein (LDL) and on the toxicity of oxidized LDL (ox-LDL) tomouse macrophages in vitro. Methods Human LDL from sera df normal lipidemic donors was separated bysequential ultracentrifugation. The separated human IDL 1 mg·mL^(-1) in phosphate buffer saline, pH7.4, was incubated with cupric sulfate (10 μmol·L^(-1) ) at 37℃ for 10 h in the presence orabsence of various concentrations of Iso. Malondialdehyde (MDA) formation, vitamin E consumption,electrophoretic mobility of LDL, mitochondria] membrane potential of mouse peritoneal macrophages,phagocytosis of neutral red, and release of nitric oxide (NO) from macrophages were determined byvarious methods. Results Iso 1 - 100 μmol·L^(-1) significantly inhibited the increase of MDAformation, vitamin E consumption and electrophoretic mobility of LDL induced by Cu^(2+) in aconcentration-dependent manner. The injury of the mitochondrial membrane potential of mouseperitoneal macrophages due to incubation with ox-LDL (0.1 mg·mL^(-1)) at 37℃ for 12 h was markedlyprotected by 10 μmol·L^(-1) Iso. After pretreat-ment of the macrophages with 10 μmol · L^(-1)of Iso and then exposure to ox-LDL for 4 h, the reduction of phagocytosis of neutral red and releaseof NO in response to lipopolysaccharide (IPS) stimulation were significantly prevented. ConclusionIso has protective action against Cu^(2+) - mediated LDL peroxidation and ox-LDL induced toxicity tomacrophages in vitro.

Dyslipidemia： evidence of efficacy of the pharmacological and non-pharmacological treatment in the elderly

The clinical decision to control risk factors for cardiovascular disease （CVD） in the elderly takes the followings into consideration： （1） the elderly life expectancy; （2） the elderly biological age and functional capacity; （3） the role of cardiovascular disease in the elderly group; （4） the prevalence of risk factors in the elderly; and （5） The effectiveness of treatment of risk factors in the elderly. A large number of studies showed the efficacy of secondary and primary prevention of dyslipidemia in the elderly. However, the only trial that included patients over 80 years was the Heart Protection Study （HPS）. Statins are considered the first line therapy for lowering low-density lipoprotein cholesterol （LDL-C）. Because lifestyle changes are very difficult to achieve, doctors in general tend to prescribe many drugs to control cardiovascular risk factors. However, healthy food consumption remains a cornerstone in primary and secondary cardiovascular prevention and should be implemented by everyone.

A background refinement method based on local density for hyperspectral anomaly detection

For anomaly detection,anomalies existing in the background will affect the detection performance.Accordingly,a background refinement method based on the local density is proposed to remove the anomalies from thebackground.In this work,the local density is measured by its spectral neighbors through a certain radius which is obtained by calculating the mean median of the distance matrix.Further,a two-step segmentation strategy is designed.The first segmentation step divides the original background into two subsets,a large subset composed by background pixels and a small subset containing both background pixels and anomalies.The second segmentation step employing Otsu method with an aim to obtain a discrimination threshold is conducted on the small subset.Then the pixels whose local densities are lower than the threshold are removed.Finally,to validate the effectiveness of the proposed method,it combines Reed-Xiaoli detector and collaborative-representation-based detector to detect anomalies.Experiments are conducted on two real hyperspectral datasets.Results show that the proposed method achieves better detection performance.

Theoretical Study on Reaction Mechanism of Tautomerization of Indazole and 3-halogeno-indazole

The molecular structures of indazole and 3-halogeno-indazole tautomers were calculated by the B3LYP method at the 6-311G^＊＊ level, both in the gaseous and aqueous phases, with full geometry optimization. The geometry and electronic structure of the tautomers of indazole, 3-halogeno-indazole and their transition states were obtained. The Onsager solvate theory model was employed for the aqueous solution calculations. The results of the calculation indicated that the N1-H form of the studied molecule is more stable than that of the N2-H form. The influences of the different 3-halogeno and solvent effects on the geometry, energy, charge and activation energy were discussed. The reaction mechanism of the tautomerization of indazole and 3-halogeno-indazole was also studied and a three-membered cyclic transition state of the tautomer reaction has been obtained.

Low-Lying Isomers of(TiO_(2))_(n)(n=2-8)Clusters

Although there are diverse bond features of Ti and O atoms,so far only several isomers have been reported for each(TiO_(2))n cluster.Instead of the widely used global optimization,in this work,we search for the low-lying isomers of(TiO_(2))_(n)(n=2-8)clusters with up to 10000 random sampling initial structures.These structures were optimized by the PM6 method,followed by density functional theory calculations.With this strategy,we have located many more low-lying isomers than thosereported previously.The number of isomers increases dramatically with the size of the cluster,and about 50 isomers were found for(TiO_(2))_(7) and(TiO_(2))_(8) with the energy within 30 kcal/mol.Furthermore,new lowest isomers have been located for(TiO_(2))_(5) and(TiO_(2))_(8),and isomers with three terminal oxygen atoms,five coordinated oxygen atoms as well as six coordinated titanium atoms have been located.Our work highlights the diverse structural features and a large number of isomers of small TiO_(2) clusters.