Kinetics of benzonitrile nitration with mixed acid under homogeneous conditions

Chemical kinetics of benzonitrile nitration with mixed acid is investigated in the temperature range 283–299 K. Pseudo-first-order rate constants are evaluated by means of rate experiments on homogeneous reacting mixtures having large stoichiometric excesses of nitric acid. The second-order kinetic constants for nitronium ion attack to the aromatic substrate are derived on the basis of the assessed nitration mechanism. An activation energy of 604 ± 37 kJ mol^?1 is calculated for this reaction step. © 1993 John Wiley & Sons, Inc.     

AN ALTERNATIVE SPECIFICATION FOR MODELING GROUNDWATER DYNAMICS

This research extends previous work with dynamic models to manage groundwater quality by using the consumptive nitrate use rate instead of the nitrate application rate. The analysis indicates that misspecification results in overestimation of economic benefits, and supra-optimum nitrogen fertilizer application rates and groundwater nitrate stocks at a steady state.     

Orbifolds, Sheaves and Groupoids

We characterize orbifolds in terms of their sheaves, and show that orbifolds correspond exactly to a specific class of smooth groupoids. As an application, we construct fibered products of orbifolds and prove a change-of-base formula for sheaf cohomology.     

Chemical composition and reaction analysis of single aerosol particles

In situ measurements of gas-liquid surface reactions of single aerosol microdroplets are presented. By means of optical levitation in combination with elastic (Mie) and inelastic (Raman) light scattering it is possible to get information on the chemistry of e.g. acid/base reactions as well as the physical behavior of single microparticles.     

Selective saturation and inversion of multiple resonances in high-resolution solid-state 13C experiments using slow spinning CP/MAS and tailored DANTE pulse sequences.

Taking advantage of the long 13C T1 values generally encountered in solids, selective saturation and inversion of more than one resonance in 13C CP/MAS experiments can be achieved by sequentially applying several DANTE pulse sequences centered at different transmitter frequency offsets. A new selective saturation pulse sequence is introduced composed of a series of 90 degrees DANTE sequences separated by interrupted decoupling periods during which the selected resonance is destroyed. Applications of this method, including the simplification of the measurement of the principal values of the 13C chemical shift tensor under slow MAS conditions, are described. The determination of the aromaticity of coal using a relatively slow MAS rate is also described.     

Magnetic resonance imaging: a new window into industrial processing.

Although the most important use of nuclear magnetic resonance imaging (MRI) continues to be for diagnostic medicine, recognition is being gained for many nonmedical applications. Examples include the following areas: petrogeology, food, agriculture, polymers and polymer-composites, and pharmaceuticals. These areas all involve studies of species that have short spin-spin relaxation times, and consequently need far fast gradient switching. These technical details are discussed and typical applications given.     

Optical Tunnelling from One-Dimensional Square-Well Potentials

The authors study a one-dimensional model for optical tunnellingwith a refractive index in the shape of a square well. The relevanceof the model and its limiting cases are discussed. The mainresult is the leading behaviour of the exponentially small imaginarypart of the eigenvalue which determines the radiation loss.The leading behaviour of the imaginary part is calculated usingBerry's formula which controls the asymptotic expansion of theAiry function Bi(z) to better-than-exponential accuracy.     

Silver nitrate-acetonitrile and iodine-benzene complexes as studied by NMR in thermotropic liquid crystals

Silver nitrate-acetonitrile and π iodine-benzene complexes in thermotropic liquid crystals have been studied by ¹H, ²H, and ¹³C NMR spectroscopy and by optical microscopy. Evidence for at least two silver complexes in each liquid crystal is presented.     

Numerical method for a model of inhomogeneous muscle fibers

The numerical solution of a nonlinear and nonlocal system of integro-differential equations that models the contraction of a single heterogeneous muscle fiber is studied. The method proposed is a form of the finite difference method of characteristics. Optimal error bounds are established for the resulting approximation. © 1993 John Wiley & Sons, Inc.