Determination of Point of Zero Charge of Tunisian Kaolinites by Potentiometric and Mass Titration Methods

This paper deals with determining points of zero charge of natural and Na+-saturated mineral kaolinites using two methods: (1) acid-base potentiometric titration was employed to obtain the adsorption of H+ and OH- on amphoteric surfaces in solutions of varying ionic strengths in order to determinate graphically the point of zero net proton charge (PZNPC) defined equally as point of zero salt effect (PZSE); (2) mass titration curve at different electrolyte concentrations in order to estimate PZNPCs by interpolation and to compare with those determined by potentiometric titrations. The two methods involved points of zero charge approximately similar for the two kaolinites between 6.5-7.8, comparable to those reported previously and were in the range expected for these clay minerals. The comparison of potentiometric surface titration curves obtained at 25 °C and those published in the literature reveals significant discrepancies both in the shape and in the pH of PZNPCs values.

Comparison of salt titration and potentiometric titration methods for the determination of zero point of charge

the salt ritration metod was evaluated as a method to determine zpc in comparison with the potentiometric titration method for 26 soil with variable charge clays,i.e.,Oxisols and Ultisols from Thailand and Andisols from Japan. In addition to the determination of ST-pH0 as the zero point of charge, a calculation procedure was adopted here in order to acquire more information from the titration curve . fuithermore, for the purpose of cross-checking of zpc determined by the pt method, the st procedure was successively applied to the samples analyzed by the pt method.

Mathematical symbols and computing methods in high dimensional biomimetic informatics and their applications

High dimensional biomimetic informatics (HDBI) is a novel theory of informatics developed in recent years. Its primary object of research is points in high dimensional Euclidean space, and its exploratory and resolving procedures are based on simple geometric computations. However, the mathematical descriptions and computing of geometric objects are inconvenient because of the characters of geometry. With the increase of the dimension and the multiformity of geometric objects, these descriptions are more complicated and prolix especially in high dimensional space. In this paper, we give some definitions and mathematical symbols, and discuss some symbolic computing methods in high dimensional space systematically from the viewpoint of HDBI. With these methods, some multi-variables problems in high dimensional space can be solved easily. Three detailed algorithms are presented as examples to show the efficiency of our symbolic computing methods: the algorithm for judging the center of a circle given three points on this circle, the algorithm for judging whether two points are on the same side of a hyperplane, and the algorithm for judging whether a point is in a simplex constructed by points in high dimensional space. Two experiments in blurred image restoration and uneven lighting image correction are presented for all these algorithms to show their good behaviors.

Fast and effective analysis methods for fiber Raman amplifiers

A series of new single-step methods and their corresponding algorithms with automatic step size adjustment for model equations of fiber Raman amplifiers are proposed and compared in this paper. On the basis of the Newton-Raphson method, multiple shooting algorithms for the two-point boundary value problems involved in solving Raman amplifier propagation equations are constructed. A verified example shows that, compared with the traditional Runge-Kutta methods, the proposed methods can increase the accuracy by more than two orders of magnitude under the same conditions. The simulations for Raman amplifier propagation equations demonstrate that our methods can increase the computing speed by more than 5 times, extend the step size significantly, and improve the stability in comparison with the Dormand-Prince method. The numerical results show that the combination of the multiple shooting algorithms and the proposed methods has the capacity to rapidly and effectively solve the model equations of multipump Raman amplifiers under various conditions such as co-, counter- and bi-directionally pumped schemes, as well as dual-order pumped schemes.

Conformational and orientational analyses of 2,2 '-bithiophene under interaction of external electric field constructed by point charges

The fully relaxed single-bond torsional potentials and orientation-related rotational potentials of 2,2'-bithiophene (BT) under the interaction of an external electric field (EF) constructed by point charges have been evaluated with semi-empirical AMI and PM3 calculations. The torsional potentials are sensitive to both EF strength and direction. While the EF is parallel to the molecular long axis, the torsional barrier around C-x-C-x' bond obviously rises with increasing the EF strength, whereas the relative energies of syn and anti minima show a slight change. The interaction between the EF and the induced dipole moment has been proposed to elucidate this observation. On the other hand, the relative energy difference between the syn and anti minima shows an obvious change, while the EF is perpendicular to the molecular long axis. This feature has been ascribed to the interaction between the EF and the permanent dipole moment of BT. Furthermore, conformational and orientational analyses in two dimensions have been carried out by changing the torsional and rotational angles in the different EF. The conformation and orientation of a gas-phase BT in the EF are governed by both the above factors.

Conformational analysis of 2,2 '-bithiophene under interaction of external electric field defined by point charges

Conformational analysis of 2,2'-bithiophene (BT) under the influence of an electric field (EF) constructed by point charges has been performed by using semi-empirical Austin Model 1 (AM1) and Parametric model number 3 (PM3) calculations. When the EF perpendicular to the molecular conjugation chain is applied, both AM1 and PM3 calculations show an energy increase of the anti-conformation. AM1 predicts that the global minimum shifts to syn-conformation when the EF strength is larger than a critical value. and PM predicts that the local minimum in anti-conformation vanishes. This kind of EF effect has been ascribed to the EF and dipole moment interaction.

地震数据波动方程反演方法研究

Geophysical inversion is a theory that transforms the observation data into corresponding geophysical models. The goal of seismic inversion is not only wave velocity models, but also the fine structures and dynamic process of interior of the earth, expanding to more parameters such as density, aeolotropism, viscosity and so on. As is known to all, Inversion theory is divided to linear and non-linear inversion theories. In rencent 40 years linear inversion theory has formed into a complete and systematic theory and found extensive applications in practice. While there are still many urgent problems to be solved in non-linear inversion theory and practice. Based on wave equation, this dissertation has been mainly involved in the theoretical research of several non-linear inversion methods: waveform inversion, traveltime inversion and the joint inversion about two methods. The objective of gradient waveform inversion is to find a geologic model, thus synthetic seismograms generated by this geologic model are best fitted to observed seismograms. Contrasting with other inverse methods, waveform inversion uses all characteristics of waveform and has high resolution capacity. But waveform inversion is an interface by interface method. An artificial parameter limit should be provided in each inversion iteration. In addition, waveform information will tend to get stuck in local minima if the starting model is too far from the actual model. Based on velocity scanning in traditional seismic data processing, a layer-by-layer waveform inversion method is developed in this dissertation to deal with weaknesses of waveform inversion. Wave equation is used to calculate the traveltime and derivative (perturbation of traveltime with respect to velocity) in wave-equation traveltime inversion (WT). Unlike traditional ray-based travetime inversion, WT has many advantages. No ray tracing or traveltime picking and no high frequency assumption is necessary and good result can be got while starting model is far from real model. But, comparing with waveform inversion, WT has low resolution. Waveform inversion and WT have complementary advantages and similar algorithm, which proves that the joint inversion is a better inversion method. And another key point which this dissertation emphasizes is how to give fullest play to their complementary advantages on the premise of no increase of storage spaces and amount of calculation. Numerical tests are implemented to prove the feasibility of inversion methods mentioned above in this dissertation. Especially for gradient waveform inversion, field data are inversed. This field data are acquired by our group in Wali park and Shunyi district. Real data processing shows there are many problems for waveform inversion to deal with real data. The matching of synthetic seismograms with observed seismograms and noise cancellation are two primary problems. In conclusion, on the foundation of the former experiences, this dissertation has implemented waveform inversions on the basis of acoustic wave equation and elastic wave equation, traveltime inversion on the basis of acoustic wave equation and traditional combined waveform traveltime inversion. Besides the traditional analysis of inversion theory, there are two innovations: layer by layer inversion of seimic reflection data inversion and rapid method for acoustic wave-equation joint inversion.

基于显式分形插值的高保真地震数据重建方法研究

Based on the fractal theories, contractive mapping principles as well as the fixed point theory, by means of affine transform, this dissertation develops a novel Explicit Fractal Interpolation Function（EFIF）which can be used to reconstruct the seismic data with high fidelity and precision. Spatial trace interpolation is one of the important issues in seismic data processing. Under the ideal circumstances, seismic data should be sampled with a uniform spatial coverage. However, practical constraints such as the complex surface conditions indicate that the sampling density may be sparse or for other reasons some traces may be lost. The wide spacing between receivers can result in sparse sampling along traverse lines, thus result in a spatial aliasing of short-wavelength features. Hence, the method of interpolation is of very importance. It not only needs to make the amplitude information obvious but the phase information, especially that of the point that the phase changes acutely. Many people put forward several interpolation methods, yet this dissertation focuses attention on a special class of fractal interpolation function, referred to as explicit fractal interpolation function to improve the accuracy of the interpolation reconstruction and to make the local information obvious. The traditional fractal interpolation method mainly based on the randomly Fractional Brown Motion (FBM) model, furthermore, the vertical scaling factor which plays a critical role in the implementation of fractal interpolation is assigned the same value during the whole interpolating process, so it can not make the local information obvious. In addition, the maximal defect of the traditional fractal interpolation method is that it cannot obtain the function values on each interpolating nodes, thereby it cannot analyze the node error quantitatively and cannot evaluate the feasibility of this method. Detailed discussions about the applications of fractal interpolation in seismology have not been given by the pioneers, let alone the interpolating processing of the single trace seismogram. On the basis of the previous work and fractal theory this dissertation discusses the fractal interpolation thoroughly and the stability of this special kind of interpolating function is discussed, at the same time the explicit presentation of the vertical scaling factor which controls the precision of the interpolation has been proposed. This novel method develops the traditional fractal interpolation method and converts the fractal interpolation with random algorithms into the interpolation with determined algorithms. The data structure of binary tree method has been applied during the process of interpolation, and it avoids the process of iteration that is inevitable in traditional fractal interpolation and improves the computation efficiency. To illustrate the validity of the novel method, this dissertation develops several theoretical models and synthesizes the common shot gathers and seismograms and reconstructs the traces that were erased from the initial section using the explicit fractal interpolation method. In order to compare the differences between the theoretical traces that were erased in the initial section and the resulting traces after reconstruction on waveform and amplitudes quantitatively, each missing traces are reconstructed and the residuals are analyzed. The numerical experiments demonstrate that the novel fractal interpolation method is not only applicable to reconstruct the seismograms with small offset but to the seismograms with large offset. The seismograms reconstructed by explicit fractal interpolation method resemble the original ones well. The waveform of the missing traces could be estimated very well and also the amplitudes of the interpolated traces are a good approximation of the original ones. The high precision and computational efficiency of the explicit fractal interpolation make it a useful tool to reconstruct the seismic data; it can not only make the local information obvious but preserve the overall characteristics of the object investigated. To illustrate the influence of the explicit fractal interpolation method to the accuracy of the imaging of the structure in the earth’s interior, this dissertation applies the method mentioned above to the reverse-time migration. The imaging sections obtained by using the fractal interpolated reflected data resemble the original ones very well. The numerical experiments demonstrate that even with the sparse sampling we can still obtain the high accurate imaging of the earth’s interior’s structure by means of the explicit fractal interpolation method. So we can obtain the imaging results of the earth’s interior with fine quality by using relatively small number of seismic stations. With the fractal interpolation method we will improve the efficiency and the accuracy of the reverse-time migration under economic conditions. To verify the application effect to real data of the method presented in this paper, we tested the method by using the real data provided by the Broadband Seismic Array Laboratory, IGGCAS. The results demonstrate that the accuracy of explicit fractal interpolation is still very high even with the real data with large epicenter and large offset. The amplitudes and the phase of the reconstructed station data resemble the original ones that were erased in the initial section very well. Altogether, the novel fractal interpolation function provides a new and useful tool to reconstruct the seismic data with high precision and efficiency, and presents an alternative to image the deep structure of the earth accurately.

特大地震激发地球自由振荡的数值模拟研究

Large earthquakes, such as the Chile earthquake in 1960 and the Sumatra-Andaman earthquake on Dec 26, 2004 in Indonesia, have generated the Earth’s free oscillations. The eigenfrequencies of the Earth’s free oscillations are closely related to the Earth’s internal structures. The conventional methods, which mainly focus on calculating the eigenfrequecies by analytical ways, and the analysis on observations can not easily study the whole processes from earthquake occurrence to the Earth’s free oscillation inspired. Therefore, we try to use numerical method incorporated with large-scale parallel computing to study on the Earth’s free oscillations excited by giant earthquakes. We first give a review of researches and developments of the Earth’s free oscillation, and basical theories under spherical coordinate system. We then give a review of the numerical simulation of seismic wave propagation and basical theories of spectral element method to simulate global seismic wave propagation. As a first step to study the Earth’s free oscillations, we use a finite element method to simulate the propagation of elastic waves and the generation of oscillations of the chime bell of Marquis Yi of Zeng, by striking different parts of the bell, which possesses the oval crosssection. The bronze chime bells of Marquis Yi of Zeng are precious cultural relics of China. The bells have a two-tone acoustic characteristic, i.e., striking different parts of the bell generates different tones. By analysis of the vibration in the bell and the spectrum analysis, we further help the understanding of the mechanism of two-tone acoustic characteristics of the chime bell of Marquis Yi of Zeng. The preliminary calculations have clearly shown that two different modes of oscillation can be generated by striking different parts of the bell, and indicate that finite element numerical simulation of the processes of wave propagation and two-tone generation of the chime bell of Marquis Yi of Zeng is feasible. These analyses provide a new quantitative and visual way to explain the mystery of the two-tone acoustic characteristics. The method suggested by this study can be applied to simulate free oscillations excited by great earthquakes with complex Earth structure. Taking into account of such large-scale structure of the Earth, small-scale low-precision numerical simulation can not simply meet the requirement. The increasing capacity in high-performance parallel computing and progress on fully numerical solutions for seismic wave fields in realistic three-dimensional spherical models, Spectral element method and high-performance parallel computing were incorporated to simulate the seismic wave propagation processes in the Earth’s interior, without the effects of the Earth’s gravitational potential. The numerical simulation shows that, the results of the toroidal modes of our calculation agree well with the theoretical values, although the accuracy of our results is much limited, the calculated peaks are little distorted due to three-dimensional effects. There exist much great differences between our calculated values of spheroidal modes and theoretical values, because we don’t consider the effect the Earth’ gravitation in numerical model, which leads our values are smaller than the theoretical values. When , is much smaller, the effect of the Earth’s gravitation make the periods of spheroidal modes become shorter. However, we now can not consider effects of the Earth’s gravitational potential into the numerical model to simulate the spheroidal oscillations, but those results still demonstrate that, the numerical simulation of the Earth’s free oscillation is very feasible. We make the numerical simulation on processes of the Earth’s free oscillations under spherically symmetric Earth model using different special source mechanisms. The results quantitatively show that Earth’s free oscillations excited by different earthquakes are different, and oscillations at different locations are different for free oscillation excited by the same earthquake. We also explore how the Earth’s medium attenuation will take effects on the Earth’s free oscillations, and take comparisons with the observations. The medium attenuation can make influences on the Earth’s free oscillations, though the effects on lower-frequency fundamental oscillations are weak. At last, taking 2008 Wenchuan earthquake for example, we employ spectral element method incorporated with large-scale parallel computing technology to investigate the characteristics of seismic wave propagation excited by Wenchuan earthquake. We calculate synthetic seismograms with one-point source model and three-point source model respectively. Full 3-D visualization of the numerical results displays the profile of the seismic wave propagation with respect to time. The three-point source, which was proposed by the latest investigations through field observation and reverse estimation, can better demonstrate the spatial and temporal characteristics of the source rupture processes than one-point source. Primary results show that those synthetic signals calculated from three-point source agree well with the observations. This can further reveal that the source rupturing process of Wenchuan earthquake is a multi-rupture process, which is composed by at least three or more stages of rupture processes. In conclusion, the numerical simulation can not only solve some problems concluding the Earth’s ellipticity and anisotropy, which can be easily solved by conventional methods, but also finally solve the problems concluding topography model and lateral heterogeneity. We will try to find a way to fully implement self-gravitation in spectral element method in future, and do our best to continue researching the Earth’s free oscillations using the numerical simulations to see how the Earth’ lateral heterogeneous will affect the Earth’s free oscillations. These will make it possible to bring modal spectral data increasingly to bear on furthering our understanding of the Earth’s three-dimensional structure.