一个扩散问题的自然边界元法与有限元法组合

本文讨论由Helmholtz方程描述的扩散问题的自然边界元法与有限元法的组合．取一个圆作为公共边界，用Fourier展开建立边界积分方程，将无界区域上的问题化为有界区域上的非局部边值问题．在变分方程中公共边界上的未知量只包含函数本身而不包含其法向导数，从而减少了未知数的数目，并且边界元剐度矩阵只有极少量不同的元素，有利于数值计算．这种组台方法优越于建立在直接边界元法基础上的组合方法．文中证明了变分解的唯一性，数值解的收敛性和误差估计．最后讨论了数值技术并给出一个算倒．     

The Polarographic Reductions of 4-Cyano-3-Substitutedsydnones

The reducing behaviors of five 4-cyano-3-substitutedsydnones were studied with dropping mercury electrode. Their reducing potentials obey the modified Hammett equation and possible reaction mechanisms are discussed.     

含不连续项的常微分积分方程的解

本文研究微分积分方程 u'=g(t,u)+integral from 0 to 1(k(t,s)f(s,u(s))ds),u(0)=x_0最小解、最大解的存在性.本文的特点是关于方程中函数g(t,x),f(t,x)没作任何连续性假定.     

The Cauchy Problem for a Class of Semilinear Wave Equations with Piecewise Constants Data

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Experimental high pressure speed of sound and density of (tetralin + n-decane) and (tetralin + n-hexadecane) systems and thermodynamic modeling

In this work, speed of sound for n-decane, n-hexadecane and tetralin, as well as for binary mixtures involving these hydrocarbons, were determined at pressures of (0.1, 5, 10, 15, 20 and 25) MPa at temperatures of (313.15, 323.15 and 333.15) K at different compositions. Density data at atmospheric pressure for these same systems were measured experimentally at temperatures of (313.15, 323.15 and 333.15) K. From these results and thermodynamic definitions, the following properties were calculated: density at high pressures, excess molar volume and excess isentropic compressibility. Tetralin, n-decane and n-hexadecane are chemicals asymmetrical in shape, length and chemical nature that can be found in naphtha and kerosene fractions. The influence of these differences on the physical properties of these mixtures was then evaluated. Density and speed of sound data were correlated with Prigogine–Flory–Patterson (PFP) equation of state. The PFP model correlated well experimental densities for pure components but did not correlate so well the speed of sound dependency with pressure. The model calculated well excess properties, with correct signs, magnitudes, and the qualitative effect of pressure and temperature on these properties.     

Localization and Screening Enhancement in Asymmetric Binary Ionic Mixtures

The equation of state of binary ionic mixtures of similar ions, such as nitrogen, oxygen and carbon, has been extensively studied. The study of dense asymmetric mixtures, where Z₂ >> Z₁, has primarily focused on mixtures of hydrogen and iron at solar conditions. Using molecular dynamics simulations, we examine the behavior of highly asymmetric binary ionic mixtures, where the coupling of the high‐Z species may be orders of magnitude higher than the coupling of the low‐Z species. For the conditions we have studied, we find that strong correlations and signatures of solidification occur in the high‐Z species, while the low‐Z species exists as a freely flowing fluid within the high‐Z solid matrix. Solidification of the low‐Z species is correlated with the coupling between the two components. Using the Widom expansion method, we compute the plasma screening enhancement of the nuclear reaction rates for Z = 1 in a high‐Z matrix. We also provide some estimates of the coefficient of binary diffusion in the mixture. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Extending the GC-SAFT-VR approach to associating functional groups: Alcohols, aldehydes, amines and carboxylic acids

The statistical associating fluid theory is a widely used molecular-based equation of state that has been successfully applied to study a broad range of fluid systems. It provides a framework in which the effects of molecular shape and interactions on the thermodynamics and phase behavior of fluids can be separated and quantified. In the original approach, molecules were modeled as chains composed of identical segments; the heterogeneity of molecules in terms of structure and functional groups was described implicitly through effective parameters. To overcome this limitation, in recent works [Peng et al. Fluid Phase Equilib. 227(2), 131 (2009); Ind. Eng. Chem. Res. 49(3), 1378 (2010)] the GC-SAFT-VR approach has been developed to extend the theory to model chains composed of segments of different size and/or energy of interaction and enable the development of a group-contribution approach within the SAFT-VR framework in which molecular heterogeneity and connectivity is explicitly accounted for. The parameters for several key functional groups (CH₃, CH₂, CH, CH₂CH, CO, C₆H₅, esters, ethers, cis-alkenes and trans-alkenes groups) were determined by fitting to experimental vapor pressure and saturated liquid density data for a number of small molecules containing the functional groups of interest and transferability of the parameters tested by comparing the theoretical predictions with experimental data for pure fluids not included in the fitting process and binary mixtures of both simple fluids and the VLE and LLE of small molecules in polymer systems. In this work, we further extend the applicability of the GC-SAFT-VR approach through the study of the vapor-liquid phase behavior of associating systems, such as linear and branched alcohols, primary and secondary amines, aldehydes, and carboxylic acids, and their mixtures. In the study of these new molecules several new functional groups (OH (linear and branched), HCO, NH₂, NH and COOH) are defined and their molecular parameters characterized. The transferability of the parameters is again tested by comparing the theoretical predictions with experimental data for pure fluids and binary mixtures not included in the fitting process. The GC-SAFT-VR approach is found to predict the phase behavior of the systems studied in most cases in good agreement with experimental data and accurately captures the effects of changes in structure and molecular composition on phase behavior.     

丢翻图方x2 + a2=2yn解法的计算研究

本文研究了一类丢番图方程的解.利用对Thue方程解的估计和方程解的连分式展开,获得了所求丢番图方程解的个数、解上界的估计和一般的求解算法.最后利用该算法给出了1≤a≤108的所有解.     

A piecewise-linearized algorithm based on the Krylov subspace for solving stiff ODEs

Numerical methods for solving Ordinary Differential Equations (ODEs) have received considerable attention in recent years. In this paper a piecewise-linearized algorithm based on Krylov subspaces for solving Initial Value Problems (IVPs) is proposed. MATLAB versions for autonomous and non-autonomous ODEs of this algorithm have been implemented. These implementations have been compared with other piecewise-linearized algorithms based on Padé approximants, recently developed by the authors of this paper, comparing both precisions and computational costs in equal conditions. Four case studies have been used in the tests that come from stiff biology and chemical kinetics problems. Experimental results show the advantages of the proposed algorithms, especially when the dimension is increased in stiff problems.     

关于多项式小分数部分的一个注解

设f(x)为任意一实系数多项式,N.G.Moshchevitin在他的文章[8]中给出了集合{α∈R∶ limn→∞ infnlog n‖af(n)‖＞0}的Hausdorff维数的下界.在本文中,我们延用文[8]的方法并结合齐次Moran集的维数理论给出这个集合Hausdorff维数的精确值.