The comparison of detailed chemical kinetic mechanisms: Application to the combustion of methane

Detailed chemical kinetic mechanisms of complex chemical phenomena may be composed of hundreds of species and thousands of individual elementary reactions. It can be an extremely laborious and error‐prone procedure to compare two of these mechanisms, particularly if they come from different sources. We have created software tools which help to highlight the differences between mechanisms written in a Chemkin format and demonstrate their applicability to five literature mechanisms describing the high temperature oxidation of methane. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36:467–471, 2004     

Potential barrier in the problem of the evolution of a dinuclear system

A method for calculating the potential energy of a dinuclear system evolving along the charge-asymmetry coordinate is analyzed. It is shown that the shape of the potential is determined primarily by the dependence of the proton separation energy on the mass and the charge number of nuclei that form the dinuclear system and by the concerted effect of the Coulomb fields of these nuclei on the single-particle motion of constituent nucleons.     

Synthesis and characterization of poly(methyl methacrylate)‐block‐poly(methylphenylsilane)‐ block‐poly(methyl methacrylate) by atom transfer radical polymerization

ABA block copolymers of methyl methacrylate and methylphenylsilane were synthesized with a methodology based on atom transfer radical polymerization (ATRP). The reaction of samples of α,ω‐dihalopoly(methylphenylsilane) with 2‐hydroxyethyl‐2‐methyl‐2‐bromoproprionate gave suitable macroinitiators for the ATRP of methyl methacrylate. The latter procedure was carried out at 95 °C in a xylene solution with CuBr and 2,2‐bipyridine as the initiating system. The rate of the polymerization was first‐order with respect to monomer conversion. The block copolymers were characterized with ¹H NMR and ¹³C NMR spectroscopy and size exclusion chromatography, and differential scanning calorimetry was used to obtain preliminary evidence of phase separation in the copolymer products. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 30–40, 2003     

Dog and tricks: some mathematics for students of graphics

This paper describes how parametric cubic splines and cubicBezier curves may be used in designing a two dimensional shape.A simple aerofoil shape is designed using both methods. Themathematics is described and the shape drawn using Excel. Theeffect of varying parameters is shown in both methods.     

The Six and Eight-Vertex Models Revisited

Elliott Lieb's ice-type models opened up the whole field of solvable models in statistical mechanics. Here we discuss the “commuting transfer matrix” T,Qequations for these models, writing them in a more explicit and transparent notation that we believe offers new insights. The approach manifests the relationship between the six-vertex and chiral Potts models, and between the eight-vertex and Kashiwara–Miwa models.     

Magnetic properties of lanthanum orthoferrite fine powders prepared by different chemical routes

Fine powders of lanthanum iron oxide, LaFeO₃, have been prepared by solid state reaction as well as sol-gel synthesis and nebulized spray pyrolysis. Structures, morphologies and magnetic susceptibility measurements of these powders have been examined. The powders prepared by all the three low-temperature routes contain nearly spherical particles with an average diameter of 40 nm. These samples show a lower Neel temperature than the powder prepared by solid state reaction besides showing much lower magnetic susceptibility at low temperatures. Dedicated to Professor C N R Rao on his 70th birthday