Subgrid scale fluid velocity timescales seen by inertial particles in large-eddy simulation of particle-laden turbulence

Large-eddy simulation (LES) has emerged as a promising tool for simulating turbulent flows in general and, in recent years,has also been applied to the particle-laden turbulence with some success (Kassinos et al., 2007). The motion of inertial particles is much more complicated than fluid elements, and therefore, LES of turbulent flow laden with inertial particles encounters new challenges. In the conventional LES, only large-scale eddies are explicitly resolved and the effects of unresolved, small or subgrid scale (SGS) eddies on the large-scale eddies are modeled. The SGS turbulent flow field is not available. The effects of SGS turbulent velocity field on particle motion have been studied by Wang and Squires (1996), Armenio et al. (1999), Yamamoto et al. (2001), Shotorban and Mashayek (2006a,b), Fede and Simonin (2006), Berrouk et al. (2007), Bini and Jones (2008), and Pozorski and Apte (2009), amongst others. One contemporary method to include the effects of SGS eddies on inertial particle motions is to introduce a stochastic differential equation (SDE), that is, a Langevin stochastic equation to model the SGS fluid velocity seen by inertial particles (Fede et al., 2006; Shotorban and Mashayek, 2006a; Shotorban and Mashayek, 2006b; Berrouk et al., 2007; Bini and Jones, 2008; Pozorski and Apte, 2009).However, the accuracy of such a Langevin equation model depends primarily on the prescription of the SGS fluid velocity autocorrelation time seen by an inertial particle or the inertial particle–SGS eddy interaction timescale (denoted by $\delt T_{Lp}$ and a second model constant in the diffusion term which controls the intensity of the random force received by an inertial particle (denoted by C_0, see Eq. (7)). From the theoretical point of view, dTLp differs significantly from the Lagrangian fluid velocity correlation time (Reeks, 1977; Wang and Stock, 1993), and this carries the essential nonlinearity in the statistical modeling of particle motion. dTLp and C0 may depend on the filter width and particle Stokes number even for a given turbulent flow. In previous studies, dTLp is modeled either by the fluid SGS Lagrangian timescale (Fede et al., 2006; Shotorban and Mashayek, 2006b; Pozorski and Apte, 2009; Bini and Jones, 2008) or by a simple extension of the timescale obtained from the full flow field (Berrouk et al., 2007). In this work, we shall study the subtle and on-monotonic dependence of $\delt T_{Lp}$ on the filter width and particle Stokes number using a flow field obtained from Direct Numerical Simulation (DNS). We then propose an empirical closure model for $\delta T_{Lp}$. Finally, the model is validated against LES of particle-laden turbulence in predicting single-particle statistics such as particle kinetic energy. As a first step, we consider the particle motion under the one-way coupling assumption in isotropic turbulent flow and neglect the gravitational settling effect. The one-way coupling assumption is only valid for low particle mass loading.

用微型生物群落评价常德市水系的研究

本文应用PFU法对常德水系四季微型生物群落的结构和功能进行了分析。根据MacArthur-Wilson平衡模型提出了3个功能参数,测定了微型生物的2个结构参数。同步进行了16个站四季的水质分析,提出化学综合污染指数(P)。经统计学处理,P和微型生物群落的HI、S_(eq)、G、T_(90％)等指数均呈显著性相关。物种多样性(d)也在一定程度上反映出城市水体的不同污染程度。再次证明PFU微型生物监测方法的科学性,为生物监测提供了快速、经济、正确的新方法。

对PFU法中MacArthur-Wilson平衡模型的修改

考虑到环境压迫的因素,对PFU法中的MacArthur-Wilson平衡模型作了修改,推导出一个更为适用的新模型。小野外生态试验和室内毒理试验中提出4个功能参数(S_(eq),G,H,T_(90％))用于环境的生物监测。使用Monte Garlo序贯随机模拟算法和Marquardt算法估计模型参数并完成计算机程序的编制,最后还使用拟合差异度法检验实验模型。

应用原生动物群落评价石油废水对燕山区水系的影响

北京燕山地区的水系——周口店河、东沙河、丁家洼河、西沙河、大石河中游受到石油废水和生活污水的影响。作者在5条河流同步采用载玻片法、PFU(Polyurethane Foam Unit)法和传统的浮游生物沉淀法收集原生动物群落。对群落的种类组成、多样性指数、群集过程(S_(eq)、G、T_(90％))等参数进行了测定。3种方法都能监测出周口店河有严重的毒性效应,载玻片法和PFU法能监测出含石油的废水在东沙河逐渐净化的过程,PFU法能最终判断出西沙河的有机污染比丁家洼河大。因此这5条河流的污染程度是依大石河、

用PFU原生动物群落进行生物监测的研究

应用PFU法收集微型生物群落,监测鸭儿湖的农药污染。原生动物对五个氧化塘内农药废水的毒性反应,可用群集过程来表示,无论室内或是野外试验,结果基本一致。其中微型生物群落的结构参数有原生动物种类组成和种数、叶绿素a含量、水细菌数量;功能参数有反映原生动物群集过程中的S_(eq)、G、t_(90％)和微型生物的呼吸速度。功能和结构的参数均能较准确地反映出氧化塘系统的净化过程。PFU法可应用于预报污染物的生物效应浓度,初认为是一种经济、快速、正确的生物学监测方法。

用PFU法研究微型生物群集过程中数据的处理

根据MacArthur-Wilson的岛屿区系平衡模型S_t=S_(eq)(1-e~(GT)),可以从野外生态效应试验和室内毒性试验中,提出3个功能参数(S_(eq)、G、t_(90％))进行比较。本文提出两种计算方法:复合梯形法和最小二乘法,后者已在计算机上实现了BASIC计算程序。从数学理论上论证,最小二乘法误差较小,但如果实验布局合理,两种计算方法能得到十分一致的结果。实验模型是否符合理论模型,可以用统计学上的拟合差异度检验法来检验。

In vivo study on the effects of microcystin extracts on the expression profiles of proto-oncogenes (c-fos, c-jun and c-myc) in liver, kidney and testis of male Wistar rats injected i.v. with toxins

Microcystins (MCs) are a potent liver tumor promoter, possessing potent tumor-promoting activity and weak initiating activity. Proto-oncogenes are known to be involved in the tumor-promoting mechanisms of microcystin-LR. However, few data are available on the effects of MCs oil proto-oncogenes in the whole animal. To investigate the effects of MCs on the expression profile of the proto-oncogenes in different organs, male Wistar rats were injected intravenously with microcystin extracts at a dose of 86.7 mu g MC-LR eq/kg bw (MC-LR eq, MC-LR equivalents). mRNA levels of three proto-oncogenes c-fos, c-jun and c-myc in liver, kidney and testis were analyzed using quantitative real-time PCR at several time points post-injection. Significant induction of these genes at transcriptional level was observed in the three organs. In addition, the increase of mRNA expression of all three genes was much higher in liver than in kidney and testis. Meanwhile, the protein levels of c-Fos and c-Jun were investigated by western blotting. Both proteins were induced in the three organs. However, elevations of protein levels were Much lower than those of mRNA levels. These findings suggest that the expression of c-fos, c-jun and c-myc might be one possible mechanism for the tumor-promoting activity and initiating activity of microcystins. (c) 2008 Published by Elsevier Ltd.

Use of PFU protozoan community structural and functional characteristics in assessment of water quality in a large, highly polluted freshwater lake in China

Structural and functional parameters of protozoan communities colonizing on PFU (polyurethane foam unit) artificial substrate were assessed as indicators of water quality in the Chaohu Lake, a large, shallow and highly polluted freshwater lake in China. Protozoan communities were sampled 1, 3, 6, 9 and 14 days after exposure of PFU artificial substrate in the lake during October 2003. Four study stations with the different water quality gradient changes along the lake were distinguishable in terms of differences in the community's structural (species richness, individual abundance, etc.) and functional parameters (protozoan colonization rates on PFU). The concentrations of TP, TN, COD and BOD as the main chemical indicators of pollution at the four sampling sites were also obtained each year during 2002-2003 for comparison with biological parameters. The results showed that the species richness and PFU colonization rate decreased as pollution intensity increased and that the Margalef diversity index values calculated at four sampling sites also related to water quality. The three functional parameters based on the PFU colonization process, that is, S-eq, G and T-90%, were strongly related to the pollution status of the water. The number of protozoan species colonizing on PFU after exposure of 1 to 3 days was found to give a clear comparative indication of the water quality at the four sampling stations. The research provides further evidence that the protozoan community may be utilized effectively in the assessment of water quality and that the PFU method furnishes rapid, cost-effective and reliable information that may be useful for measuring responses to pollution stress in aquatic ecosystems.

Biological evaluation of running waters in Korea, with special reference to bioassessment using the PFU system

A total of six stations in the Han River system were selected for establishing polyurethane foam units (PFUs) to collect protozoans, including phytomastigophorans, zoomastigophorans, amoebas and ciliates, in July 1993. In the bioassessment of microbial communities using the PFUs, the number of species decreased as pollution intensity increased. The diversity index values calculated at the main stations generally agreed with the pollution status of the stations. Anyang-Chon (Chon means stream) showed the lowest diversity value (1.89), and all stations, except Masok and Anyang-Chon, showed diversity index values ranging from 3.15 to 3.93. The highest heterotrophic index (HI) value was detected in Anyang-Chon followed by Masok-Chon. The number of species at the main stations reached a maximum on day 11 of being exposed to PFUs. The results of S-eq, G and T-90% all suggest that bioassessments using the PFU system were well matched with pollution status of the water. All microbial variables were significantly correlated with comprehensive chemical pollution indices, P-a and P-b, with correlation coefficients ranging from r=0.87 to r=0.96.

The fabrication and properties of InAs/GaAs columnal islands

A columnal islands system, which was composed of three layers of self-assembled InAs/GaAs quantum dots (QDs), has been fabricated by solid-source molecular beam epitaxy (MBE) through S-K mode on a (100) semi-insulating GaAs substrate. The effects of the thickness of GaAs space layer, the growth interruption time and the amount of InAs deposition on the emission wavelength of columnal islands were presented. The image of atomic force microscopy (AFM) indicated the columnal islands with high uniformity in size and shape. At room temperature, the emission wavelength of columnal islands with different effective heights was achieved 1.32 and 1.4 mum; however, the emission wavelength of single-layer QDs with normal height was just 1. l mum. It provides a useful and intuitive approach to artificially control the emission wavelength of a QD material system.

Effect of interaction between periodic delta-doping in both well and barrier layers on modulation of superlattice band structure

The modulation of superlattice band structure via periodic delta-doping in both well and barrier layers have been theoretically investigated, and the importance of interaction between the delta-function potentials in the well layers and those in the barrier layers on SL band structure have been revealed. It is pointed out that the energy dispersion relation Eq. (3) given in [G. Ihm, S.K. Noh, J.I. Lee, J.-S. Hwang, T.W. Kim, Phys. Rev. B 44 (1991) 6266] is an incomplete one, as the interaction between periodic delta-doping in both well and barrier layers had been overlooked. Finally, we have shown numerically that the electron states of a GaAs/Ga0.7Al0.3As superlattice can be altered more efficiently by intelligent tuning the two delta-doping's positions and heights. (c) 2007 Elsevier B.V. All rights reserved.

路易斯碱催化的烯胺不对称还原研究

手性胺不仅是许多天然产物和手性药物的重要结构单元，而且也是非常有用的拆分试剂、手性配体和手性催化剂。亚胺和烯胺的不对称催化还原是制备手性胺的最直接有效的方式之一，手性有机小分子催化的亚胺不对称还原已取得了很大的进展，但到目前为止，有机小分子催化的烯胺不对称还原极少见文献报道。 本研究以廉价的三氯氢硅为氢源、DMF 等路易斯碱为催化剂实现了烯胺的高效还原。通过反应条件的优化，各种烯胺底物在0.1 eq. DMF 催化下、12 个小时内可以获得非常高的收率（>93%）。 在本课题组前期研究的基础上，我们筛选并设计了一系列以手性哌啶酸和叔丁基亚磺酰胺为母体的有机小分子路易斯碱催化剂，它们能催化三氯氢硅对(Z)-N-苄氧羰基-1-苯基丙烯胺的不对称还原，获得很高的收率和中等的对映选择性，并且具有很好的底物普适性。另外，通过机理方面的研究，我们推测在反应过程中一分子烯胺先捕获一个质子而转变为亚胺正离子，然后受到路易斯碱活化的三氯氢硅中的富电氢原子进攻该亚胺正离子得到还原产物。 另外，本文列出了在此课题进展中所发现的一些新反应，并且试图去阐释这些反应的作用机理。 Catalytic enantioselective reduction of imines and enamines represents one of the most straightforward and efficient methods for the preparation of chiral amines, which are not only important building blocks of many natrural products and chiral drugs, but also can serve as useful resolution reagents, chiral ligands and chiral catalysts. By now, asymmetric reduction of enamines catalyzed by organocatalysts has scarcely been reported, although organocatalyzed enantioselective reduction of imines has already gained great progress. In this study, we report the DMF-catalyzed reduction of enamines with high yields using HSiCl3 as the reducing agent. Under the optimized reaction conditions, various enamines can be reduced in the presence of 0.1 eq. DMF with high yields (>93%) in 12 hours. We screened a set of Lewis base organocatalysts derived from chiral pipecolinic acid and tert-butanesulfinamide for the reduction of (Z)-N-Cbz-1- phenylpropenamine, including newly designed ones and some of those previously developed in our lab. However, only moderate stereoselectivities, albeit high yields were obtained. As for the mechanism, we speculate that the enamine firstly engages a proton to form an iminium species, which is then attacked by the nucleophlic hydrogen of HSiCl3 activated by Leiws base. During the above studies, we have also discovered some new reactions, for which feasible mechanisms were proposed.

盘式吸渗仪吸渗率计算方法比较

选用盘径为5 cm和15 cm的盘式吸渗仪,对杨凌土(粘土)和神木砂黄土(砂壤土)两种质地的土壤在0、-3、-6、-9-、12 cm水头5种负压下进行了室内吸渗实验,分析了不同盘径和负压对累积吸渗量的影响;并选用4种吸渗率公式对这两种质地土壤吸渗率进行了计算,以Vandervaere法为参考方法对该4种方法的适用性进行了分析。结果表明,在相同的时间内,两种土壤5 cm盘径下的累积吸渗量均大于15 cm盘径下的累积吸渗量,砂黄土累积吸渗量大于相同负压下土累积吸渗量;在4种吸渗率计算方法中,无论土还是砂黄土,Haverkamp公式所得吸渗率值与参考方法最接近。

Selective separation of yttrium by CA-100 in the presence of a complexing agent

The selective separation of Y from yttrium solution containing small heavy rare earth (HRE) impurities (Ho, Er, Tm, Yb, Lu) by liquid-liquid extraction using CA-100 in the presence of a water-soluble complexing agent of ethylenediaminetetraacetic acid (EDTA) was experimentally studied at 298K. Experiments were carried Out in two feeds, Feed-I: [RE](f) = 4.94 x 10(-3) M, Y = 98.5%, HRE (Ho, Er, Tm, Yb, Lu) = 1.5%; Feed-II: [RE](f) = 4.94 x 10(-3) M, Y = 99.9%, HRE (Ho, Er, Tm, Yb, Lu) = 0.1%, as a function of equilibrium pH (pH(eq)), the concentration ratio of [EDTA]:[HRE impurities]. It was shown that the extraction of HRE in the presence of EDTA was suppressed when compared to that of Y because of the masking effect, while the selective extraction of Y was enhanced and the separation factors increased to maximum at appropriate condition for Feed-I: Y/Ho = 1.53, Y/Er = 3.09, Y/Tm = 5.61, Y/Yb = 12.04, Y/Lu = 27.51 at pH 4.37 and [EDTA]:[HRE impurities] = 4: 1, for Feed-II: Y/Ho = 1.32, Y/Er = 1.91, Y/Tm = 2.00, Y/Yb = 3.05, Y/Lu = 3.33 at pH 4.42 and [EDTA]: [HRE impurities] = 8:1. The separation and purification of Y by this method was discussed.