Sound power flux measurements in strongly exited ducts with flow

This contribution describes new robust procedures for the measurement of sound power flux at appropriate axial positions along a duct with flow, using pairs of flush wall mounted microphones, or pressure transducers. The technology includes the application of selective averaging, order tracking, and optimized sampling rate methods to identify the small fraction of the total fluctuating wave energy that is being propagated along the flow path in a reverberent, or highly reactive duct system. Such measurements can also be used to quantify the local acoustic characteristics that govern the generation, transfer, and propagation of wave energy in the system. Illustrative examples include the determination of the acoustic characteristics of individual silencing elements installed in IC engine intakes and exhausts both on the flow bench and during controlled acceleration or run down on a test bed, where the wave component spectral levels approached 170 dB.     

Pattern recognition and massively distributed computing

A feature of Peter Kollman's research was his exploitation of the latest computational techniques to devise novel applications of the free energy perturbation method. He would certainly have seized upon the opportunities offered by massively distributed computing. Here we describe the use of over a million personal computers to perform virtual screening of 3.5 billion druglike molecules against protein targets by pharmacophore pattern matching, together with other applications of pattern recognition such as docking ligands without any a priori knowledge about the binding site location.     

A palladium catalysed cyclisation-carbonylation of bromodienes: control in carbonylation over facile beta-hydride elimination

Conditions have been found for the efficient palladium mediated cyclisation-carbonylation of bromodienes to give gamma,lambda-unsaturated acids.     

New Molecular Receptors with Cyclophosphazene Subunits: Synthesis, Reactivity, and Structure-Property Relationships

A series of hydrophopic ( 2 and 3) and new hydrophilic ( 4– 7) molecular receptors of the PNP-lariat ether with tetra-substituted cyclotriphosphazene subunits have been prepared by the complete nucleophilic substitution of chlorine atoms in the reactive PNP-crown precursor 1 with the respective sodium cation-paired oxyanions (phenoxy 2, -naphthoxy 3, and methoxytrioxyethylenoxy 4) and aliphatic amines (n-propylamine 5 aziridine 6, and pyrrolidine 7). Their structures were established by MS and ³¹P NMR spectroscopy and their metal ion complexing properties tested by a TLC method. Comparison of the complexation behaviour for ligands 1– 7 shows that the affinity for particular cations is strongly substituent-dependent and, in general, is significantly enhanced by cooperation of the side arm donor atoms (O or N) with the parent PNP-crown structure in the binding process. The remarkable affinity of some ligands for selected cations, in particular lithium, cesium, and silver ions, is interpreted in terms of structure-property relationships.     

The production and destruction of the C-related 969 meV absorption band in Si

Data are reported on the production of the 969 meV absorption line as functions of the carbon concentration and radiation dose in FZ and CZ silicon. With increasing dose of 2 MeV electrons the absorption first increases and then decreases. Simple equations are presented which describe the growth and decay. It is shown that, in favourable circumtances, carbon concentrations as low as 10¹⁴ cm⁻³ can be detected in silicon by means of the 969 meV absorption line. We verify that the 969 meV line anneals out at temperatures >500 K but may increase between 450 and 500 K. We show that the increase is largest in samples irradiated at room temperature to a small dose relative to the carbon concentration.     

On-line Surface Area Measurement of Concentrated Slurries using low field spin-lattice relaxation NMR

A method for the rapid on-line determination of surface area and solids content in flowing concentrated slurries using low field NMR spin-lattice relaxation measurements has been developed and demonstrated. The relationship between flow and spin-lattice relaxation time (T₁) of protons in water at 20 MHz was examined using aqueous copper sulfate solutions. The ability to measure surface area and solids concentration in both stagnant (stopped flow) and flowing systems via NMR was demonstrated using several different concentrated aqueous titania and glass slurries (20 to 80 weight percent) for which the dried powder surface area was previously determined via nitrogen adsorption/BET analysis and the solids content determined gravimetrically. Surface areas were also calculated from particle size analysis and found to vary by up to an order of magnitude from the adsorption and NMR results.     

A note on the magnetic susceptibility of hydrogen and its isotopomers

A wavefunction used in an earlier calculation of the nuclear shielding of the hydrogen molecule has been tested by comparing the calculated magnetic susceptibility against that of Kolos and Wolniewicz. Good agreement is obtained. The procedure of Herman and Short for averaging over the nuclear motion has also been tested by comparing the predicted susceptibilities of H₂, Hd and D₂ with those obtained from averages of the Rydberg-Klein-Rees potential curves by Jain and Sahni. Again, good agreement is found.For the first time calculated values have been obtained for the susceptibilities of the isoropomers of hydrogen which contain tritium. It is predicted that accurate susceptibility measurements should not only be able to distinguish between all the various isotopomers but should also detect the temperature dependence of the susceptibility of any one isotopomer.