对数值模拟气相爆轰中二阶段化学反应模型再研究

采用改进的高精度时-空守恒元解元算法(the space-time conservation element and solution element method,CE/SE method)和考虑组分的二阶段化学反应模型(Sichel的二步模型)对气相爆轰问题的数值模拟进行了分析.分析发现采用Sichel的二步模型得到的数值结果虽然比早期二阶段化学反应模型(旧二步模型)更接近实验值,但是仍然不能得到爆轰过程准确气体动力学参数.为此通过修改组分的质量分数分布形式对Sichel的二步模型进行了改造,然后采用新的二步模型对平面爆轰波进行了数值模拟.数值结果表明采用新的二步模型计算得到气体动力学参数更接近于实验值和基元反应模型的计算值,在计算精度上有较大提高.

飞秒激光对氟化镁烧蚀机理研究

用扫描电镜（SEM）研究了氟化镁在800nm超短脉冲激光作用下的单枪表面烧蚀形貌．根据烧蚀斑面积与激光脉冲能量间的对数关系，测得烧蚀阈值与激光脉宽的关系曲线（55—750fs）．计算了导带电子的双光子吸收，改进了多速率方程模型．很好地解释了实验结果．

Extraction kinetics of rare earth elements with sec-octylphenoxy acetic acid

The kinetics of RE (La, Gd, Er, Yb and Y) extraction with sec-octylphenoxy acetic acid was investigated using a constant interfacial area cell with laminar flow at 303 K. The natures of the extracted complexes have some effect on the extraction rate which is controlled by the reaction rate of M(III) and extractant molecules at two-phase interface for Er(III), Yb(III) and Y(III), by a mixed chemical reaction-diffusion for Gd(III) and a diffusion for La( III). The extractant molecules tend to adsorb at the interface. So an interfacial extraction reaction model was derived.

地理信息系统支持下的滑坡灾害空间分析预测-以云南小江流域为例

As a typical geological and environmental hazard, landslide has been causing more and more property and life losses. However, to predict its accurate occurring time is very difficult or even impossible due to landslide's complex nature. It has been realized that it is not a good solution to spend a lot of money to treat with and prevent landslide. The research trend is to study landslide's spatial distribution and predict its potential hazard zone under certain region and certain conditions. GIS(Geographical Information System) is a power tools for data management, spatial analysis based on reasonable spatial models and visualization. It is new and potential study field to do landslide hazard analysis and prediction based on GIS. This paper systematically studies the theory and methods for GIS based landslide hazard analysis. On the basis of project "Mountainous hazard study-landslide and debris flows" supported by Chinese Academy of Sciences and the former study foundation, this paper carries out model research, application, verification and model result analysis. The occurrence of landslide has its triggering factors. Landslide has its special landform and topographical feature which can be identify from field work and remote sensing image (aerial photo). Historical record of landslide is the key to predict the future behaviors of landslide. These are bases for landslide spatial data base construction. Based on the plenty of literatures reviews, the concept framework of model integration and unit combinations is formed. Two types of model, CF multiple regression model and landslide stability and hydrological distribution coupled model are bought forward. CF multiple regression model comes form statistics and possibility theory based on data. Data itself contains the uncertainty and random nature of landslide hazard, so it can be seen as a good method to study and understand landslide's complex feature and mechanics. CF multiple regression model integrates CF (landslide Certainty Factor) and multiple regression prediction model. CF can easily treat with the problems of data quantifying and combination of heteroecious data types. The combination of CF can assist to determine key landslide triggering factors which are then inputted into multiple regression model. CF regression model can provide better prediction results than traditional model. The process of landslide can be described and modeled by suitable physical and mechanical model. Landslide stability and hydrological distribution coupled model is such a physical deterministic model that can be easily used for landslide hazard analysis and prediction. It couples the general limit equilibrium method and hydrological distribution model based on DEM, and can be used as a effective approach to predict the occurrence of landslide under different precipitation conditions as well as landslide mechanics research. It can not only explain pre-existed landslides, but also predict the potential hazard region with environmental conditions changes. Finally, this paper carries out landslide hazard analysis and prediction in Yunnan Xiaojiang watershed, including landslide hazard sensitivity analysis and regression prediction model based on selected key factors, determining the relationship between landslide occurrence possibility and triggering factors. The result of landslide hazard analysis and prediction by coupled model is discussed in details. On the basis of model verification and validation, the modeling results are showing high accuracy and good applying potential in landslide research.

A combined statistical model for multiple motifs search

Transcription factor binding sites (TFBS) play key roles in genebior 6.8 wavelet expression and regulation. They are short sequence segments with de¯nite structure and can be recognized by the corresponding transcription factors correctly. From the viewpoint of statistics, the candidates of TFBS should be quite di®erent from the segments that are randomly combined together by nucleotide. This paper proposes a combined statistical model for ¯nding over- represented short sequence segments in di®erent kinds of data set. While the over-represented short sequence segment is described by position weight matrix, the nucleotide distribution at most sites of the segment should be far from the background nucleotide distribution. The central idea of this approach is to search for such kind of signals. This algorithm is tested on 3 data sets, including binding sites data set of cyclic AMP receptor protein in E.coli, PlantProm DB which is a non-redundant collection of proximal promoter sequences from di®erent species, collection of the intergenic sequences of the whole genome of E.Coli. Even though the complexity of these three data sets is quite di®erent, the results show that this model is rather general and sensible.

Quantum dynamics study of isotope effect for H+CH4 reaction using the SVRT model

The semirigid vibrating rotor target model is applied to study the isotope effect in reaction H + CH4-->H-2 + CH3 using time-dependent wave-packet method. The reaction probabilities for producing H-2 and HD product channels are calculated. The energy dependence of the reaction probabilities shows oscillating structures for both reaction channels. At low temperature or collision energies, the H atom abstraction is favored due to tunnelling effect. In partially deuterated CHxDy (x + y = 4), the breaking of the C-H bond is favored over that of the C-D bond in the entire energy range studied. In H + CHD3 reaction at high energies, the HD product dominates simply due to statistical factor. (C) 2003 American Institute of Physics.

Catalytic mechanisms of triphenyl bismuth, dibutyltin dilaurate, and their combination in polyurethane-forming reaction

The catalytic mechanisms of triphenyl bismuth (TPB), dibutyltin dilaurate (DBTDL) and their combination have been studied in a model polyurethane reaction system consisting of copolyether (tetrahydrofuran-ethyleneoxide) and N-100; NMR spectroscopy was used to detect the associations between reactants and catalysts. A relatively stable complex was shown to be formed between hydroxyl and isocyanate; the catalysts showed different effects on the isocyanate-hydroxyl complex, therefore resulting in different curing characteristics. The formation of hydrogen bonding between the complexed hydroxyl and other hydroxyl or the resulting urethane provided an ''auto-catalysis'' to urethane formation. DBTDL destroyed the isocyanate-hydroxyl complex before catalyzing the reaction through the formation of a ternary complex, whereas TPB was able to activate the isocyanate-hydroxyl complex directly to form urethane. The reaction catalyzed by the combination of TPB and DBTDL gained advantages from the multiple catalytic entities, i.e., TPB, DBTDL, and a TPB-DBTDL complex. (C) 1997 John Wiley & Sons, Inc.

THE ISOLATION, CHARACTERIZATION AND OXIDATION REACTION OF ACTIVE INTERMEDIATES OF CYTOCHROME-P-450 MODEL SYSTEM OXOCHROMIUM(V) TETRAPHENYLPORPHYRIN COMPLEXES

Oxochromium (V) tetraphenylporphyrin complexes, O = Cr (V) TPP (Cl) PhI. O = Cr-(V) TPP (N3) PhI and O = Cr (V)TPP (p-CH3OC6H4O)1/2PhI were isolated from the reaction of Cr (III) TPP (Cl). Cr (III) TPP (N3) Py or Cr (III) TPP (p-CH3OC6H4O) THF with iodosy

A nonlinear model for assessing multiple probabilistic risks: A case study in South five-island of Changdao National Nature Reserve in China

Several methods for estimating the potential impacts caused by multiple probabilistic risks have been suggested. These existing methods mostly rely on the weight sum algorithm to address the need for integrated risk assessment. This paper develops a nonlinear model to perform such an assessment. The joint probability algorithm has been applied to the model development. An application of the developed model in South five-island of Changdao National Nature Reserve, China, combining remote sensing data and a GIS technique, provides a reasonable risk assessment. Based on the case study, we discuss the feasibility of the model. We propose that the model has the potential for use in identifying the regional primary stressor, investigating the most vulnerable habitat, and assessing the integrated impact of multiple stressors. (C) 2006 Elsevier Ltd. All rights reserved.

Chemical kinetics and self-ignition in a model supersonic hydrogen-air combustor

Self-ignition tests of a model scramjet combustor were conducted by using parallel sonic injection of gaseous hydrogen from the base of a blade-like strut into a supersonic vitiated airstream. The range of stagnation pressure and temperature studied varied from 1.0 to 4.5 MPa and from 1300 to 2200 K, respectively. Experimental results show that the self-ignition limit, in terms of either global or local quantities of pressure and temperature, exhibits a nonmonotonic behavior resembling the classical homogeneous explosion limit of the hydrogen-oxygen system. Specifically, for a given temperature, increasing pressure from a low value can render a nonignitable mixture to first become ignitable, then nonignitable again, This correspondence shows that, despite the globally supersonic nonpremixed configuration studied herein, ignition is strongly influenced by the intricate chemical reaction mechanism and thereby exhibits the homogeneous explosion character. Consequently, self-ignition criteria based on a global reaction rate approximating the complex chemistry are inadequate. An auxiliary computational study on counterflow ignition was also conducted to systematically investigate the contamination effects of vitiated air. Results indicate that the net contamination effects for the present experimental data are expected to be substantially smaller than contributions from the individual contamination species because of the counterbalancing influences of the H2O-inhibition and NO-promotion reactions in effecting ignition.

A Nonlinear Threshold Model Applied to Spallation Analysis

Spallation in heterogeneous media is a complex, dynamic process. Generally speaking, the spallation process is relevant to multiple scales and the diversity and coupling of physics at different scales present two fundamental difficulties for spallation modeling and simulation. More importantly, these difficulties can be greatly enhanced by the disordered heterogeneity on multi-scales. In this paper, a driven nonlinear threshold model for damage evolution in heterogeneous materials is presented and a trans-scale formulation of damage evolution is obtained. The damage evolution in spallation is analyzed with the formulation. Scaling of the formulation reveals that some dimensionless numbers govern the whole process of deformation and damage evolution. The effects of heterogeneity in terms of Weibull modulus on damage evolution in spallation process are also investigated.