Decay Rates in Probability Metrics Towards Homogeneous Cooling States for the Inelastic Maxwell Model

We quantify the long-time behavior of solutions to the nonlinear Boltzmann equation for spatially uniform freely cooling inelastic Maxwell molecules by means of the contraction property of a suitable metric in the set of probability measures. Existence, uniqueness, and precise estimates of overpopulated high energy tails of the self-similar profile proved in ref. 9 are revisited and derived from this new Liapunov functional. For general initial conditions the solutions of the Boltzmann equation are then proved to converge with computable rate as t → ∞ to the self-similar solution in this distance, which metrizes the weak convergence of measures. Moreover, we can relate this Fourier distance to the Euclidean Wasserstein distance or Tanaka functional proving also its exponential convergence towards the homogeneous cooling states. The findings are relevant in the understanding of the conjecture formulated by Ernst and Brito in refs. 15, 16, and complement and improve recent studies on the same problem of Bobylev and Cercignani⁽⁹⁾ and Bobylev, Cercignani and one of the authors.⁽¹¹⁾     

A novel regiodivergent resolution reaction mediated by a homochiral lithium amide base

The reaction of a racemic perhydroisoquinolene derivative 9 with the homochiral lithium amide basse 3 in the presence of Me₃SiCl in an regiodivergent fashion to give the two non-racemic regioisomeric enol silanes 10 and 11. Conversion of 10 into enone 15, an intermediate useful in the synthesis of the alkaloid (+)-yohimbine, was also possible.     

Kinetics and mechanisms in carbocationic polymerization: The quest for true rate constants

This article is a critical analysis of kinetic dataavailable on carbocationic polymerizations. A survey of published propagation rate constant (k_p) data revealed several orders of magnitude differences. In this article, an explanation of this apparent discrepancy is offered with a case study involving the carbocationic polymerization of 2,4,6‐trimethylstyrene (TMS). With the polymerization mechanism originally proposed for this system, k_p = 1.35 × 10⁴ L mol^?1 s^?1 was extracted from experimental data with the Predici polyreaction package. The alternative mechanism yielded k_p = 1.01 × 10⁷ L mol^?1 s^?1, close to that predicted by Mayr's Linear Free Energy Relationship (LFER). We propose that true rate constants can only be obtained from direct competition experiments or from kinetic interpretation based on independently proven mechanisms. The second part of this review discusses critical analysis of the temperature and concentration dependence of various living IB systems. Comparison of the temperature dependence in systems initiated with 2‐ chloro‐2,4, 4‐ trimethylpentane (TMPCl)/TiCl₄ from various laboratories yielded of ΔH ～?25 and ?34.5 kJ/mol for high and low TMPCl/TiCl₄ ratios, respectively. Aromatic (cumyl‐type) initiators show ΔH ～ ?40 kJ/mol, whereas H₂O/TiCl₄ in the presence of the strong electron‐ pair donor dimethylacetamide gave ΔH = ?12 kJ/mol. The significant differences indicate different underlying mechanisms with complex elementary reactions. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 5394–5413, 2005     

An Improved Model for Polyether Production from 1,3‐Propanediol

A dynamic mathematical model is developed for production of Cerenol polyether from 1,3‐propanediol in a batch reactor system. The model accounts for polycondensation reactions and side reactions in the liquid phase and for mass transfer of volatile species to the vapor. Parameters are estimated using measured liquid‐phase concentrations of monomer, oligomers, water, and end groups as well as the mass and composition of condensate collected from the overhead condenser system. The proposed model uses novel probability factors to keep the model equations relatively simple while accounting for the complex influence of superacid catalyst on reaction rates. The model is a significant advance over previous Cerenol models because it better accounts for mass‐transfer rates and for the dynamic behavior of the condenser. In addition, the proposed model accounts for the inhibitory influence of water on polycondensation kinetics due to hydration of hydroxyl ends. The model equations and parameter estimates provide a substantial improvement in fit to the data, especially for long reaction times and high catalyst levels, resulting in a 97% reduction in the value of the weighted least squared objective function compared to equations and parameters from a previous model.     

Rocks,Shocks and Asteroids,and Some Interesting Research Directions in Mechanics

Mechanics lies at the heart of many of the underpinnings of modern technological civilization: materials, infrastructure, transportation, health and security. The mechanics of dynamic failure processes also has a major bearing on the potential catastrophes that threaten civilization, including airbursts and major asteroid impacts. Recent events (such as the Chelyabinsk meteoroid) have demonstrated the need to understand major impact and fragmentation events. Many of the fundamental problems of current interest in national security also involve impact and fragmentation, typically studied through large-scale computational simulations. In the Murray lecture, these issues were addressed by describing fundamental high-strain-rate experiments, high-speed visualization, theoretical and computational modeling of failure processes, and simulations of asteroid damage and disruption. This paper focuses on experimental results on meteorites and a basalt.     

Asymptotic-preserving &; well-balanced schemes for radiative transfer and the Rosseland approximation

Summary. We are concerned with efficient numerical simulation of the radiative transfer equations. To this end, we follow the Well-Balanced approachs canvas and reformulate the relaxation term as a nonconservative product regularized by steady-state curves while keeping the velocity variable continuous. These steady-state equations are of Fredholm type. The resulting upwind schemes are proved to be stable under a reasonable parabolic CFL condition of the type tO(x²) among other desirable properties. Some numerical results demonstrate the realizability and the efficiency of this process.Mathematics Subject Classification (1991): 82C70, 65M06, 35B25Work partially supported by EEC network #HPRN-CT-2002-00282.Revised version received July 21, 2003     

New results on the semidiscrete Boltzmann equation for a binary gas mixture

Summary A plane semidiscrete model of the Boltzmann equation for a binary gas mixture with molecular collisions ruled by the hard-spheres interaction potential is described. After establishing a model, a theorem demostrating the global existence of mild solutions of the initial-value problem is given and the propagation of unidimensional shock waves examined.

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Sommario Si propone un modello semidiscreto piano dell'equazione di Boltzmann per una miscela binaria con collisioni molecolari soggette al potenziale di interazione delle sfere rigide. Costruito il modello, si dà un teorema di esistenza globale di soluzioni generalizzate per il problema di Cauchy, e si analizza la propagazione di onde d'urto unidimensionali.

     

Rényi Entropies and Nonlinear Diffusion Equations

Since their introduction in the early sixties (Rényi in Proc. Fourth Berkeley Symp. Math. Statist. Prob., vol. 1, pp. 547–561, 1961), the Rényi entropies have been used in many contexts, ranging from information theory to astrophysics, turbulence phenomena and others. In this note, we enlighten the main connections between Rényi entropies and nonlinear diffusion equations. In particular, it is shown that these relationships allow to prove various functional inequalities in sharp form.     

An asymptotic-preserving well-balanced scheme for the hyperbolic heat equationsUn schema « équilibre » et « asymptotic-preserving » pour les equations de la chaleur hyperboliques

We propose here a well-balanced numerical scheme for the one-dimensional Goldstein–Taylor system which is endowed with all the stability properties inherent to the continuous problem and works in both rarefied and diffusive regimes. To cite this article: L. Gosse, G. Toscani, C. R. Acad. Sci. Paris, Ser. I 334 (2002) 337–342.