Effects of pressure and molecular weight on the miscibility of polystyrene and cyclohexane

With the aid of Sanchez-Lacombe lattice fluid theory (SLLFT), the phase diagrams were calculated for the system cyclohexane (CH)/polystyrene (PS) with different molecular weights at different pressures. The experimental data is in reasonable agreement with SLLFT calculations. The total Gibbs interaction energy, g*(12) for different molecular weights PS at different pressures was expressed, by means of a universal relationship, as g(12)* =f(12)* + (P - P-0) nu*(12) demixing curves were then calculated at fixed (near critical) compositions of CH and PS systems for different molecular weights. The pressures of optimum miscibility obtained from the Gibbs interaction energy are close to those measured by Wolf and coworkers. Furthermore, a reasonable explanation was given for the earlier observation of Saeki et al., i.e., the phase separation temperatures of the present system increase with the increase of pressure for the low molecular weight of the polymer whereas they decrease for the higher molecular weight polymers. The effects of molecular weight, pressure, temperature and composition on the Flory Huggins interaction parameter can be described by a general equation resulting from fitting the interaction parameters by means of Sanchez-Lacombe lattice fluid theory.

基于流域—库区—坝区模型“三重边界嵌套”方法的河南济源蟒河口水库渗漏数值模拟研究

Constructing reservoir in mountain area, in order to avoid dangerous reservoir and ensure long-term stable reservoir storage, study on reservoir leakage has been one of research hotspots. How to accurately predict the capacity of leakage and the effect of anti-seepage after reservoir impoundment under different anti-seepage measures is one of the most difficult problems of study on reservoir leakage. The paper took Manghekou Reservoir as a case study, which is located in Jiyuan City, Henan Province, China. Based on the system analysis of the geological and hydrogeological characters in the research area, the hydrogeological conceptual model was established. Then, according to the triplex boundary nested grid model method, using three-dimensional numerical simulation technique, the 3-D groundwater seepage flow numerical model was established in the study area. Based on the model, the change of seepage flow field, the capacity of leakage and the effect of anti-seepage are predicted after Manghekou reservoir impoundment under different condition. The reasonable and reliable anti-seepage measure is selected according to the model. All these provides scientific basis for the design and assessment of anti-seepage measure for the reservoir in mountain area.

叠前地震多角度三参数同步反演方法

Pre-stack seismic inversion has become the emphasis and hotspot owing to the exploration & exploitation of oil field and the development of seismic technology. Pre-stack seismic inversion has the strongpoint of making the most of amplitude versus offset compared with the post-stack method. In this dissertation, the three parameters were discussed from multi-angle reflectance of P-wave data based on Zoeppritz’s and Aki & Richard’s equation, include P-wave velocity, S-wave velocity, and density. The three parameters are inversed synchronously from the pre-stack multi-angle P-wave data, based on rockphysics model and aimed at the least remnant difference between model simulation and practical data. In order to improve the stability of inversion and resolution to thin bed, several techniques were employed, such as the wavelet transform with multi-scale function, adding the Bayesian soft constraint and hard constraints (the horizon, structure and so on) to the inversion process. Being the result, the uncertainty of the resolution is reduced, the reliability and precision are improved, the significance of parameters becomes clearer. Meeting to the fundamental requirement of pre-stack inversion, some research in rockphysics are carried out which covered the simulation and inversion of S-wave velocity, the influence of pore fluids to geophysical parameters, and the slecting and analyzing of sensitive parameters. The difference between elastic wave equation modeling and Zoeppritz equation method is also compared. A series of key techniques of pre-stack seismic inversion and description were developed, such as attributes optimization, fluid factors, etc. All the techniques mentioned above are assembled to form a technique sets and process of synchronous pre-stack seismic inversion method of the three parameters based on rock physics and model simulation. The new method and technology were applied in many areas with various reservoirs, obtained both geological and economic significance, which proved to be valid and rational. This study will promote the pre-stack inversion technology and it’s application in hidden reservoirs exploration, face good prospects for development and application.

各向同性与各向异性介质中地震波旅行时正演模拟与反演成像

By seismic tomography, interesting results have been achieved not only in the research of the geosphere with a large scale but also in the exploration of resources and projects with a small scale since 80'. Compared with traditional inversion methods, seismic tomography can offer more and detailed information about subsurface and has been being paid attention by more and more geophysicists. Since inversion based on forward modeling, we have studied and improved the methods to calculate seismic traveltimes and raypaths in isotropic and anisotropic media, and applied the improved forward methods to traveltime tomography. There are three main kinds of methods to calculate seismic traveltime field and its ray path distribution, which are ray-tracing theory, eikonal equation by the finite-difference and minimum traveltime tree algorithm. In ray tracing, five methods are introduced in the paper, including analytic ray tracing, ray shooting, ray bending, grid ray tracing and rectangle grid ray perturbation with three points. Finite-difference solution of eikonal equation is very efficient in calculation of seismic first-break, but is awkward in calculation of reflection traveltimes. We have put forward a idea to calculate traveltimes of reflected waves using a combining way of eikonal equation method and other one in order to improve its capability of dealing with reflection waves. The minimum traveltime tree algorithm has been studied with emphases. Three improved algorithms are put forward on the basis of basic algorithm of the minimum traveltime tree. The first improved algorithm is called raypath tracing backward minimum traveltime algorithm, in which not only wavelets from the current source but also wavelets from upper source points are all calculated. The algorithm can obviously improve the speed of calculating traveltimes and raypaths in layered or blocked homogeneous media and keep good accuracy. The second improved algorithm is raypath key point minimum traveltime algorithm in which traveltimes and raypaths are calculated with a view of key points of raypaths (key points of raypths mean the pivotal points which determine raypaths). The raypath key point method is developed on the basis of the first improved algorithm, and has better applicability. For example, it is very efficient even for inhomogeneous media. Another improved algorithm, double grid minimum traveltime tree algorithm, bases upon raypath key point scheme, in which a model is divided with two kinds of grids so that the unnecessary calculation can be left out. Violent undulation of curved interface often results in the phenomenon that there are no reflection points on some parts of interfaces where there should be. One efficacious scheme that curved interfaces are divided into segments, and these segments are treated respectively is presented to solve the problem. In addition, the approximation to interfaces with discrete grids leads to large errors in calculation of traveltimes and raypaths. Noting the point, we have thought a new method to remove the negative effect of mesh and to improve calculation accuracy by correcting the traveltimes with a little of additional calculation, and obtained better results.

南海天然气水合物地热学研究

Through generalizing the thermal field characteristics in gas hydrates distribution area in the world, the favorable thermal conditions for gas hydrates in the South China Sea are analyzed firstly. On the basis of above analysis, focused on the gas hydrates stability zone (GHSZ), the dissertation initiated the gas hydrates studies with geothermal methods in the South China Sea which will provide useful information for gas hydrates resource exploration and evaluation in the future. On the basis of study on hydrates phase equilibrium and the GHSZ affecting factors, the potential planar distribution of gas hydrates is determined by studying the temperature and pressure conditions in the sea bottom with different water depth, and the thickness of GHSZ is attained by solving the hydrates phase boundary curve equation and geothermal gradient curve equation. The result shows that, if the chemical composition of hydrocarbons contains methane only and the salt content of water is 3.5%, hydrates can form and keep stable at sea bottom at water depth not less than 550m, and the thickness of GHSZ is more than 200m in Xisha Through, Southeastern area of Dongsha Islands, Southwestern basin of Taiwan Island, northern area of Nansha Trough. The GHSZ is thicker with heat flow, geothermal gradient, and thermal conductivity decreasing, and with water depth increasing. Geothermal field simulating also attains the base of GHSZ in Xisha through, which is less than the depth of BSR. Although the present T-P conditions is not the most favorable for gas hydrates through 6Ma history, gas hydrates are still profitable in Xisha Through, Southeastern area of Dongsha Islands, Southwestern basin of Taiwan Island, Luzon Trough and northern area of Nansha Trough by systemic study on the sedimentary and structural characteristics, the conditions of T-P and natural gas source, considering geochemical and geophysical indications found in the South China Sea.

Resonant transmission near nonrobust periodic slab modes.

We present a precise theoretical explanation and prediction of certain resonant peaks and dips in the electromagnetic transmission coefficient of periodically structured slabs in the presence of nonrobust guided slab modes. We also derive the leading asymptotic behavior of the related phenomenon of resonant enhancement near the guided mode. The theory applies to structures in which losses are negligible and to very general geometries of the unit cell. It is based on boundary-integral representations of the electromagnetic fields. These depend on the frequency and on the Bloch wave vector and provide a complex-analytic connection in these parameters between generalized scattering states and guided slab modes. The perturbation of three coincident zeros-those of the dispersion relation for slab modes, the reflection constant, and the transmission constant-is central to calculating transmission anomalies both for lossless dielectric materials and for perfect metals.

A new inversion procedure for confocal scanning microscopy and other bandlimited signal processing problems

We find a simple analytic expression for the inverse of an infinite matrix related to the problem of data reduction in confocal scanning microscopy and other band-limited signal processing problems. Potential applications of this result to practical problems are outlined. The matrix arises from a sampling expansion approach to the integral equation.

Generalized Markov branching processes

A generalized Markov Brnching Process (GMBP) is a Markov branching model where the infinitesimal branching rates are modified with an interaction index. It is proved that there always exists only one GMBP. An associated differential-integral equation is derived. The extinction probalility and the mean and conditional mean extinction times are obtained. Ergodicity and stability of GMBP with resurrection are also considered. Easy checking criteria are established for ordinary and strong ergodicty. The equilibrium distribution is given in an elegant closed form. The probability meaning of our results is clear and thus explained.

Investigation of the cold crucible melting process: experimental and numerical study

The dynamic process of melting different materials in a cold crucible is being studied experimentally with parallel numerical modelling work. The numerical simulation uses a variety of complementing models: finite volume, integral equation and pseudo-spectral methods combined to achieve the accurate description of the dynamic melting process. Results show the temperature history of the melting process with a comparison of the experimental and computed heat losses in the various parts of the equipment. The free surface visual observations are compared to the numerically predicted surface shapes.

Unbiased Linear Property Estimation For Spheres From Sections Exhibiting Overprojection And Truncation

In the biological sciences, stereological techniques are frequently used to infer changes in structural parameters (volume fraction, for example) between samples from different populations or subject to differing treatment regimes. Non-homogeneity of these parameters is virtually guaranteed, both between experimental animals and within the organ under consideration. A two-stage strategy is then desirable, the first stage involving unbiased estimation of the required parameter, separately for each experimental unit, the latter being defined as a subset of the organ for which homogeneity can reasonably be assumed. In the second stage, these point estimates are used as data inputs to a hierarchical analysis of variance, to distinguish treatment effects from variability between animals, for example. Techniques are therefore required for unbiased estimation of parameters from potentially small numbers of sample profiles. This paper derives unbiased estimates of linear properties in one special case—the sampling of spherical particles by transmission microscopy, when the section thickness is not negligible and the resulting circular profiles are subject to lower truncation. The derivation uses the general integral equation formulation of Nicholson (1970); the resulting formulae are simplified, algebraically, and their efficient computation discussed. Bias arising from variability in slice thickness is shown to be negligible in typical cases. The strategy is illustrated for data examining the effects, on the secondary lysosomes in the digestive cells, of exposure of the common mussel to hydrocarbons. Prolonged exposure, at 30 μg 1−1 total oil-derived hydrocarbons, is seen to increase the average volume of a lysosome, and the volume fraction that lysosomes occupy, but to reduce their number.

Combined antenna and localized plasmon resonance in Raman scattering from Random arrays of silver-coated, vertically aligned multiwalled carbon nanotubes

The electric field enhancement associated with detailed structure within novel optical antenna nanostructures is modeled using the surface integral equation technique in the context of surface-enhanced Raman scattering (SERS). The antennae comprise random arrays of vertically aligned, multi-walled carbon nanotubes dressed with highly granular Ag. Different types of "hot-spot" underpinning the SERS are identified, but contrasting characteristics are revealed. Those at the outer edges of the Ag grains are antenna driven with field enhancement amplified in antenna antinodes while intergrain hotspots are largely independent of antenna activity. Hot-spots between the tops of antennae leaning towards each other also appear to benefit from antenna amplification.

Nonlinearly coupled localized plasmon resonances: Resonant second-harmonic generation

The efficient resonant nonlinear coupling between localized surface plasmon modes is demonstrated in a simple and intuitive way using boundary integral formulation and utilizing second-order optical nonlinearity. The nonlinearity is derived from the hydrodynamic description of electron plasma and originates from the presence of material interfaces in the case of small metal particles. The coupling between fundamental and second-harmonic modes is shown to be symmetry selective and proportional to the spatial overlap between polarization dipole density of the second-harmonic mode and the square of the polarization charge density of the fundamental mode. Particles with high geometrical symmetry will convert a far-field illumination into dark nonradiating second-harmonic modes, such as quadrupoles. Effective second-harmonic susceptibilities are proportional to the surface-to-volume ratio of a particle, emphasizing the nanoscale enhancement of the effect.

Structural stability of adenylate kinase from the sulfate-reducing bacteria Desulfovibrio gigas

Biophysical Chemistry 110 (2004) 83–92

Nonparametric Instrumental Regression

The focus of the paper is the nonparametric estimation of an instrumental regression function P defined by conditional moment restrictions stemming from a structural econometric model : E[Y-P(Z)|W]=0 and involving endogenous variables Y and Z and instruments W. The function P is the solution of an ill-posed inverse problem and we propose an estimation procedure based on Tikhonov regularization. The paper analyses identification and overidentification of this model and presents asymptotic properties of the estimated nonparametric instrumental regression function.

Studies on the dynamics and rheology of dilute suspensions of Brownian particles in simple shear flow under the action of an external force

We present a novel approach to computing the orientation moments and rheological properties of a dilute suspension of spheroids in a simple shear flow at arbitrary Peclct number based on a generalised Langevin equation method. This method differs from the diffusion equation method which is commonly used to model similar systems in that the actual equations of motion for the orientations of the individual particles are used in the computations, instead of a solution of the diffusion equation of the system. It also differs from the method of 'Brownian dynamics simulations' in that the equations used for the simulations are deterministic differential equations even in the presence of noise, and not stochastic differential equations as in Brownian dynamics simulations. One advantage of the present approach over the Fokker-Planck equation formalism is that it employs a common strategy that can be applied across a wide range of shear and diffusion parameters. Also, since deterministic differential equations are easier to simulate than stochastic differential equations, the Langevin equation method presented in this work is more efficient and less computationally intensive than Brownian dynamics simulations.We derive the Langevin equations governing the orientations of the particles in the suspension and evolve a procedure for obtaining the equation of motion for any orientation moment. A computational technique is described for simulating the orientation moments dynamically from a set of time-averaged Langevin equations, which can be used to obtain the moments when the governing equations are harder to solve analytically. The results obtained using this method are in good agreement with those available in the literature.The above computational method is also used to investigate the effect of rotational Brownian motion on the rheology of the suspension under the action of an external force field. The force field is assumed to be either constant or periodic. In the case of con- I stant external fields earlier results in the literature are reproduced, while for the case of periodic forcing certain parametric regimes corresponding to weak Brownian diffusion are identified where the rheological parameters evolve chaotically and settle onto a low dimensional attractor. The response of the system to variations in the magnitude and orientation of the force field and strength of diffusion is also analyzed through numerical experiments. It is also demonstrated that the aperiodic behaviour exhibited by the system could not have been picked up by the diffusion equation approach as presently used in the literature.The main contributions of this work include the preparation of the basic framework for applying the Langevin method to standard flow problems, quantification of rotary Brownian effects by using the new method, the paired-moment scheme for computing the moments and its use in solving an otherwise intractable problem especially in the limit of small Brownian motion where the problem becomes singular, and a demonstration of how systems governed by a Fokker-Planck equation can be explored for possible chaotic behaviour.