Combinational simulations of free energy of polymer solution

It is conceptually proposed that the total entropy of polymer solution is contributed from two distinct parts: the positional and the oomformational. The former can be represented analytically, while the latter can be simulated with the random self-avoiding walk model on the simple cubic lattice for multichain systems. The obtained results indicated that both the conformational entropy and the mixing heat are consistent with the scaling laws wry well.     

The Choquet-Deny convolution equation μ=μ*σ for probability measures on Abelian semigroups

In this note, we characterize the regular probability measures satisfying the Choquet-Deny convolution equation =* on Abelian topological semigroups for a given probability measure .     

Kinetic limit of a conservative lattice gas dynamics showing long-range correlations

An anisotropic lattice gas dynamics is investigated for which particles on ^d jump to empty nearest neighbor sites with (fast) rate ^–2 in a specified direction and some particular configuration-dependent rates in the other directions. The model is translation and reflection invariant and is particle conserving. The space coordinate in the fast-rate direction is rescaled by ^–1. It follows that the density field converges in probability, as 0, to the corresponding solution of a nonlinear diffusion-type equation. The microscopic fluctuations about the deterministic macroscopic evolution are determined explicitly and it is found that the stationary fluctuations decay via a power law (1/r ^d ) with the direction dependence of a quadrupole field.     

原子外层空轨道相对最稳定顺序及周期性规则

本文提出原子外层空轨道相对稳定性可作为电子填充的粗略判据;给出由中性原子轨道能数据直接导出原子外层轨道相对最稳定顺序的图表及周期性规则;用以简明、清晰、合理地推引解释元素基组态和解释元素周期律。提出在中心势场模型基础上推引全部元素基组态的方法。     

Size distribution of fractured areas in one-dimensional systems

We study a one-dimensional model for fracture, identifying fractured areas with intervals on which a stress field exceeds a threshold value. When is a diffusion process, the cumulative numberN(l) of fractured areas whose length is greater thanl obeys a power lawCl ^–p asl0 with probability one. The exponentp and the constantC are determined. The exponentp agrees with the Hausdorff dimension of the end points of fractured areas, i.e., ^–1(). Even if is self-similar with parameterH>0, i.e.,(cx)– is equivalent toc ^H {(x)–} for anyc>0, the exponentp does not depend solely onH;p=H, where(0, 1/H) is another parameter characterizing. Non-diffusion processes are given whereN(l) does not follow a power law.     

能耗率极值原理和重力理论交互作用下粗质颗粒的浓度垂线分布

本文同时运用能耗率极值原理和重力理论研究了固液两相流在粗质颗粒时固相浓度的垂线分布,通过探讨能耗率极值原理对“非单向性”作用问题,进一步揭示了两相流运动的机理。计算结果与实测数据有较好的吻合。其研究方法、原理、步骤也极易推广到其它各种粒径的固相。     

Defect of the five-thirds law using the Wiener-Hermite expansion

Application of the refined Wiener-Hermite expansion with moderate to high Reynolds numbers Re to homogeneous, isotropic turbulence is presented. The results show a defect to Kolmogorov's five-thirds law, increase in the absolute value of the exponent comparable with many theoretical predictions. Midrange spectra up to fluctuation Reynolds numbers of 10⁸ show little, if any, dependence of the defect on Re, as long as the initial spectra do not deviate too far from their equilibrium states. The renormalization scheme has also been proven to have no effect on the final shape of the spectrum.     

Intrinsic field theory of chemical reactions

An intrinsic principle of least action is presented for the intrinsic dynamism of chemical reactions. Then, as the stationary trajectory, a meta-IRC (intrinsic reaction coordinate) draws a geodesic curve in a rigged Riemannian space. This establishes a geodesic law for the intrinsic dynamism. Moreover, a diagrammatic perturbation theory is formulated for the intrinsic dynamism, and a dynamical interaction between a chemically reacting system and a background system is investigated. Then, the structural stability of the system is discussed using a new concept of the dynamical potential field. An example is given in order to elucidate the present theory.Dedicated to Prof. Hermann Hartmann on the occasion of his 65th birthday.     

高聚物亚浓溶液区标度律的蒙特卡洛模拟

利用蒙特卡洛模拟方法对线形链和星形键在亚浓溶液区的标度律作了验证与讨论。我们的计算结果证明线形链渗透压Π与体积分数Φ在亚浓溶液区的标度规律是与德热纳的理论结果相一致的。同时还证明了星形链在亚浓溶液区具有与线形链相同的标度行为。     

Importance of the Debye interaction in organic solutions: Henry's law constants for polar liquids in nonpolar solvents and vice versa

Henry's law constants have been determined for -butyrolactone (BL), ethyl acetate (EA), and 2-methyl-3-pentanol (MEP) in mixtures of iso-octane (ISO) and toluene (TOL), for BL, EA, TOL, and ISO in cinnamaldehyde (CIN) and for TOL and ISO in each other and in BL. From these data and published vapor pressures, the activity coefficients at infinite dilution and the standard molar Gibbs free energy of transfer, G ₂ ⁰ of the solutes from dilute solution in ISO to dilute solution in each solvent medium have been calculated. The different behavior patterns of BL and EA are attributed to differences in their abilities to exist in different conformations possessing different dipole moments. For polar solutes, G ₂ ⁰ decreases with increasing polarizability of the solvent and with increasing dipole moment of the solute, suggesting increased contributions from dipole-induced dipole (Debye) interactions. The sigmoidal plot of G ₂ ⁰ against the change in pair potential energy calculated from the classical expressions suggests that G ₂ ⁰ seriously underestimates the strength of the Debye interactions in comparison with the London interactions.