A new consistent discrete‐velocity model for the Boltzmann equation

This paper discusses the convergence of a new discrete‐velocity model to the Boltzmann equation. First the consistency of the collision integral approximation is proved. Based on this we prove the convergence of solutions for a modified model to renormalized solutions of the Boltzmann equation. In a numerical example, the solutions to the discrete problems are compared with the exact solution of the Boltzmann equation in the space‐homogeneous case. Copyright © 2002 John Wiley & Sons, Ltd.     

Bestimmung zwischenmolekularer Kr?fte aus in einem Trennrorh ermittelten Thermodiffusionsfaktoren

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Enthalpies of solution of polyvinylacetate in chloroform,acetone, and methanol using titration calorimetry

Heats of mixing of the solvents chloroform, methanol, and acetone with their solutions in polyvinylacetate have been measured at 25°C using a titration calorimeter. Titration of pure solvent to solutions as well as titration of solutions to the pure solvent or to diluted solutions have been performed. The second method, called reverse titration, proved to be more sensitive than normal dilution titration at sufficiently low polymer concentration. Equations describing the relative sensitivity of both titration methods have been developed. The concentration range covered by the experiments is restricted to volume fractions of polyvinylacetate not higher than 0.1–0.15 due to the high viscosities of concentrated solutions. The interaction parameterX _H of the Flory-Huggins theory has been determined from the calorimetric data.X _H is positive for methanol solutions and negative for chloroform and acetone solutions reflecting endothermic and exothermic heat effects respectively.     

Ion-pair formation in the ionic liquid 1-ethyl-3-methylimidazolium bis(triflyl)imide as a function of temperature and concentration.

The structures and ion-pair formation in the ionic liquid (IL) 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide are studied by a combination of FTIR measurements and DFT calculations. We could clearly distinguish imidazolium cations that are completely H-bonded to anions from those that are single H-bonded in ion pairs. Ion-pair formation already occurs in the neat IL and rises with temperature. Ion-pair formation is strongly promoted by dilution of the IL in chloroform. In these weakly polar environments ion pairs H-bonded via C(2)H are strongly favored over those H-bonded via C(4,5)H. This finding is in agreement with DFT (gas phase) calculations, which show a preference for ion pairs H-bonded via C(2)H as a result of the acidic C(2)H bond.