Particle Characterization by Projected Area Determination

The projected areas of non-spherical particles do not represent an unambiguous particle characteristic. Depending on the orientation towards a constant observational direction, different projected areas result. The spectrum of all projected area values of a particle, if determined representatively, gives the probability with which a certain value is obtained by a single measurement. In this work, the frequency distributions of different examples of test objects were both calculated and measured. The objects were a cube, a rectangular parallelepiped and also three model agglomerates consisting of spheres of the same size. Instead of just one projected area, during each measuring procedure three projected areas from three orthogonal directions can be obtained. A mean value is then calculated to reduce the ambiguity of the particle characteristic and enhance the resolution. A suitable measurement set-up is introduced. The results of calculation and measurement are compared for observation from just one direction and also simultaneous observation from three directions. The frequency distributions of the equivalent diameters of the particle projected areas show a characteristic trend of the total curve with remarkable properties. The simultaneous measurement of three values from mutually orthogonal directions and their mean value calculation result in a much narrower distribution. In this case, a non-sphericity factor can additionally be calculated, whose frequency distribution contains information in a characteristic manner about the degree to which the particle shape differs from a sphere.     

Runge–Kutta Methods for Itô Stochastic Differential Equations with Scalar Noise

A general class of stochastic Runge–Kutta methods for Itô stochastic differential equation systems w.r.t. a one-dimensional Wiener process is introduced. The colored rooted tree analysis is applied to derive conditions for the coefficients of the stochastic Runge–Kutta method assuring convergence in the weak sense with a prescribed order. Some coefficients for new stochastic Runge–Kutta schemes of order two are calculated explicitly and a simulation study reveals their good performance.     

Second order Runge–Kutta methods for Stratonovich stochastic differential equations

The weak approximation of the solution of a system of Stratonovich stochastic differential equations with a m–dimensional Wiener process is studied. Therefore, a new class of stochastic Runge–Kutta methods is introduced. As the main novelty, the number of stages does not depend on the dimension m of the driving Wiener process which reduces the computational effort significantly. The colored rooted tree analysis due to the author is applied to determine order conditions for the new stochastic Runge–Kutta methods assuring convergence with order two in the weak sense. Further, some coefficients for second order stochastic Runge–Kutta schemes are calculated explicitly. AMS subject classification (2000)  65C30, 65L06, 60H35, 60H10     

Minimum boundary touching tilings of polyominoes

We study the problem of tiling a polyomino P with as few squares as possible such that every square in the tiling has a non‐empty intersection with the boundary of P . Our main result is an algorithm which given a simply connected polyomino P computes such a tiling of P . We indicate how one can improve the running time of this algorithm for the more restricted row‐column‐convex polyominoes. Finally we show that a related decision problem is in NP for rectangular polyominoes. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Dynamic NMR study of the flexibility of 2-amino-3-aroyl-4,6-diaryl-pyrylium salts

Dynamic NMR investigations of a number of 2-amino-3-aroyl-4,6-diaryl-pyrylium salts were carried out. The barrier to rotation of the partial C, N double bond was determined and proved to be in the range of 62 to 63 kJ/mol. Quantum chemical calculations of bond orders and electron densities of the different atoms in the molecules show the distinct double bond character of the exocyclic C, N bond. This is in agreement with the relatively high barrier to rotation. By quantum chemical ab initio 3-21G calculations, the dynamic behaviour of this kind of compounds was simulated; two pairs (image and mirror image) of ground state conformations, in coincidence with the experiment, were obtained. Received: 10 May 1996 / Revised: 1 July 1996 / Accepted: 4 July 1996     

Metal Complexes with Macrocyclic Ligands. Part XXIX.. Structural and kinetic studies of two isomeric Cu2+ complexes with 1,4-dimethyl-8-[2-(2-pyridyl)ethyl]-1,4,8,11-tetraazacyclotetradecane

The synthesis and complexation properties of 1,4-dimethyl-8-[2-(2-pyridyl)ethyl]-1,4,8,11-tetraazacyclotetra-decane ( 2 ) are described. This ligand forms with Cu²⁺ two complexes, one of which has been characterized by X-ray structure analysis. The structural, spectral, and kinetic studies indicate that the two Cu²⁺ complexes are isomers with the macrocycle in the trans-III and trans-I configuration. The rate of the interconversion of the trans-I isomer to the thermodynamically more stable trans-III species is proportional to [OH^?]. A mechanism for this reaction is proposed.