Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint

The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of the silicon atom for SiH _n F_4−n and SiH _n F _5−n ¹⁻ . The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft nucleophiles preferably react with SiH _n F _5−n ¹⁻ , and hard nucleophiles with SiH _n F_4−n .     

Normality of the maximum principle for nonconvex constrained Bolza problems

We consider a Bolza optimal control problem with state constraints. It is well known that under some technical assumptions every strong local minimizer of this problem satisfies first order necessary optimality conditions in the form of a constrained maximum principle. In general, the maximum principle may be abnormal or even degenerate and so does not provide a sufficient information about optimal controls. In the recent literature some sufficient conditions were proposed to guarantee that at least one maximum principle is nondegenerate, cf. [A.V. Arutyanov, S.M. Aseev, Investigation of the degeneracy phenomenon of the maximum principle for optimal control problems with state constraints, SIAM J. Control Optim. 35 (1997) 930–952; F. Rampazzo, R.B. Vinter, A theorem on existence of neighbouring trajectories satisfying a state constraint, with applications to optimal control, IMA 16 (4) (1999) 335–351; F. Rampazzo, R.B. Vinter, Degenerate optimal control problems with state constraints, SIAM J. Control Optim. 39 (4) (2000) 989–1007]. Our aim is to show that actually conditions of a similar nature guarantee normality of every nondegenerate maximum principle. In particular we allow the initial condition to be fixed and the state constraints to be nonsmooth. To prove normality we use J. Yorke type linearization of control systems and show the existence of a solution to a linearized control system satisfying new state constraints defined, in turn, by linearization of the original set of constraints along an extremal trajectory.     

Review and complements on mixed-hybrid finite element methods for fluid flows

Mixed and hybrid finite element methods for the resolution of a wide range of linear and nonlinear boundary value problems (linear elasticity, Stokes problem, Navier–Stokes equations, Boussinesq equations, etc.) have known a great development in the last few years. These methods allow simultaneous computation of the original variable and its gradient, both of them being equally accurate. Moreover, they have local conservation properties (conservation of the mass and the momentum) as in the finite volume methods.The purpose of this paper is to give a review on some mixed finite elements developed recently for the resolution of Stokes and Navier–Stokes equations, and the linear elasticity problem. Further developments for a quasi-Newtonian flow obeying the power law are presented.     

氢氟烃/烷烃二元混合物的气液相平衡

整理了已公开发表的氢氟烃(HFC)/烷烃(HC)二元混合物气液相平衡实验数据,对实验数据进行了热力学一致性检验。采用PR方程加van der Waals混合规则描述该类混合物的气液相平衡性质,优化得到了11种混合物的二元交互作用系数,经比较表明采用优化结果能够高精度再现气液相平衡实验数据,比k_(ij)取0的计算结果有很大改善.     

推广的Kantorovich算子在Ba空间中的逼近

利用Ditzian-Totik光滑模,研究了推广的Kantorovich算子在Ba空间中的逼近,得到逼近的正定理与等价定理.所得结果改进、推广和统一了一些作者的结果.     

Convex dominates concave: An exclusion principle in discrete-time Kolmogorov systems

We establish an exclusion principle in discrete-time Kolmogorov systems by using average Liapunov functions. The exclusion principle shows that a weakly dominant species with a convex logarithmic growth rate function eliminates species with concave logarithmic growth rate functions. A general result is applied to specific population models. This application gives an improved exclusion principle for the specific population models.

     

An implicit method for linear ill‐posed problems with perturbed operators

An implicit iterative method is applied to solving linear ill‐posed problems with perturbed operators. It is proved that the optimal convergence rate can be obtained after choosing suitable number of iterations. A generalized Morozov's discrepancy principle is proposed for the problems, and then the optimal convergence rate can also be obtained by an a posteriori strategy. The convergence results show that the algorithm is a robust regularization method. Copyright © 2006 John Wiley & Sons, Ltd.     

Ekeland’s principle for vector equilibrium problems

In this paper, the authors deal with bifunctions defined on complete metric spaces and with values in locally convex spaces ordered by closed convex cones. The aim is to provide a vector version of Ekeland’s theorem related to equilibrium problems. To prove this principle, a weak notion of continuity of a vector-valued function is considered, and some of its properties are presented. Via the vector Ekeland’s principle, existence results for vector equilibria are proved in both compact and noncompact domains.     

Cosmological Consequences of Scale-Related Comoving Masses for Cosmic Pressure, Mass, and Vacuum Energy Density

According to ideas of Mach, Whitrow, Dirac, or Hoyle, inertial masses of particles should not be a genuine, predetermined quantity; rather they should represent a relational quantity which by its value somehow reflects the deposition and constellation of all other objects in their cosmic environment. In this paper we want to pick up suggestions given by Thirring and by Hoyle of how, due to requirements of the equivalence of rotations and of general relativistic conformal scale invariance, the particle masses of cosmic objects should vary with the cosmic length scale. We study cosmological consequences of comoving cosmic masses which co-evolve by mass with the expansion of the universe. The vanishing of the covariant divergence of the cosmic energy-momentum tensor under the new prerequisite that matter density only falls off with the reciproke of the squared cosmic scale S(t) then leads to the astonishing result that cosmic pressuredoes not fall off adiabatically but rather falls off in a quasi-isothermal behaviour, varying with S(t) as matter density does. Hence, as a new cosmological fact, it arises that, even in the late phases of cosmic expansion, pressure cannot be neglected what concerns its gravitational action on the cosmic dynamics. We then show that under these conditions the cosmological equations can, however, only be solved if, in addition to matter, also pressure and energy density of the cosmic vacuum are included in the calculation. An unaccelerated expansion with a Hubble parameter falling off with S(t)⁻¹ is obtained for a vacuum energy density decay according to S(t)⁻² with a well-tuned proportion of matter and vacuum pressures. As it appears from these results, a universe with particle masses increasing with the cosmic sale S(t) is in fact physically conceivable in an energetically consistent manner, if vacuum energy at the expansion of the universe is converted into mass density of real matter with no net energy loss occuring. This universe in addition also happens to be an economical one which has and keeps a vanishing total energy.     

Selection Principles and Sierpinski Sets

We show that a set of real numbers is a Sierpinski set if, and only if, it satisfies a selection property similar to the familiar Menger property.