N–N2 state to state vibrational-relaxation and dissociation rates based on quasiclassical calculations

Interpolation formulas are presented to reproduce the rate coefficients for vibrational–translational energy exchange and dissociation for the N + N₂ collision process. The original data have been obtained by quasiclassical method in a detailed way, including the effect of molecular rotation. The fitting procedure results are compared with original data and the related error is evaluated. Comparison with global experimental dissociation results is also presented.     

Bestimmung der Aktivitätskoeffizienten im chromatographischen Modell „binärer Lösungen“

An explanation is given for the two possible ways of determination of the activity coefficients of solutes, when applying a new thermodynamic model of adsorption and partition chromatography, i. e. the binary solutions model.

     

定标粒子理论计算非水溶液的盐效应常数

本文应用定标粒子理论计算了非电解质溶质在盐(NaI、或KI)和环丁砜组成的非水电解质溶液中溶解度的盐效应常数。硬球作用项采用Masterton-Lee的方法。软球作用项采用胡英等的径向分布函数处理方法, 并考虑进了偶极-偶极、偶极-诱导偶极、电荷-偶极和电荷-诱导偶极等相互作用。分子的硬球直径σ和能量参数∈/k由经验方程计算。由理论值和实验结果比较得出: 当σ_2取0.563 nm、离子半径取电子密度标度时, 理论值与实验值符合得较好。     

Long-range dispersion coefficients for like centrosymmetric linear molecules and an application to H2-H2

The real spherical tensor theory of long-range intermolecular coefficients developed in previous papers is applied to derive explicit formulae for the first three dispersion coefficients for like centrosymmetric linear molecules. The expansion of angle-dependent coefficients in associated Legendre polynomials allows one to identify the isotropic and anisotropic components of the dispersion interaction in terms of London dispersion constants, the treatment of higher coefficients being simplified by the coupling of the elementary (l, l′)-polarizations to resultant angular momenta L_A and L_B onto each molecule. The contributions from all coupling schemes are given explicitly for C₆, C₈, C₁₀, and numerical results are presented for H₂-H₂ using two-term reduced spectra values from the Kaiserlautern group.     

Thermodynamics of multicomponent electrolyte solutions: Aqueous mixtures of two salts from among NaCl,KCl, NaH2PO4, and KH2PO4 at 25° C

Five of the six possible aqueous two-salt mixtures from among NaCl, KCl, NaH₂PO₄,and KH₂PO₄ have been studied by the isopiestic method at 25°C. The sixth mixture, NaCl–KCl, has been studied previously. The deviations from ideal mixing behavior are described by a series of coefficients which were found by regression analysis. The coefficients were used to calculate the excess Gibbs energies of mixing for equal ionic strength fractions of each salt and the trace activity coefficient of each salt at an ionic strength of 2 mode-kg^–1. The cross-square mixing rule is obeyed within experimental uncertainty for the excess Gibbs energies of mixing.     

Existence and Uniqueness of Solutions to Time-delays Stochastic Fractional Differential Equations with Non-Lipschitz Coefficients

In this paper, we consider the existence and uniqueness of solutions to time-varying delays stochastic fractional differential equations (SFDEs) with non-Lipschitz coefficients. By using fractional calculus and stochastic analysis, we can obtain the existence result of solutions for stochastic fractional differential equations.     

The nearest neighbor random walk on subspaces of a vector space and rate of convergence

LetX be the collection ofk-dimensional subspaces of ann-dimensional vector spaceV _n overGF(q). A metric may be defined onX by letting

Photoelasticity in quasicrystals

The maximum number of non-vanishing and independent second order photoelastic coefficients required by the seven pentagonal and the two icosahedral point groups 5(C₅), (S₁₀), (C_5h ), m2(D_5h ), 52(D₅), 5m(C_5v ), 2m(D_5d ); 235(I), 2/m (I _h )—that describe the quasicrystals symmetry groups in two and three dimensions—is obtained. The schemes of non-vanishing and independent coefficients have been calculated and listed. Finally the results of this group-theoretical study are briefly discussed.     

Transport coefficients of quasicrystals

The transport coefficients for the nine point groups —which represent the symmetry groups of the quasicrystals in two and three dimensions—have been evaluated and tabulated in this work, employing group-theoretical methods.     

Balancing domain decomposition for problems with large jumps in coefficients

The Balancing Domain Decomposition algorithm uses in each iteration solution of local problems on the subdomains coupled with a coarse problem that is used to propagate the error globally and to guarantee that the possibly singular local problems are consistent. The abstract theory introduced recently by the first-named author is used to develop condition number bounds for conforming linear elements in two and three dimensions. The bounds are independent of arbitrary coefficient jumps between subdomains and of the number of subdomains, and grow only as the squared logarithm of the mesh size . Computational experiments for two- and three-dimensional problems confirm the theory.