Hydrogen bonding in polymer mixtures

The enthalpy–infrared frequency shift correlation for simple acids and bases is extended to study hydrogen bonding in polymer systems. The acidity of a polymer is calibrated by comparing the shifts in hydroxyl absorption frequency of the acidic polymer when mixed with a series of bases with the corresponding spectral shifts of known acids with the same bases. The basicity of a polymer is calibrated by measuring the hydroxyl frequency shifts of known acids when mixed with the basic polymer. For polymers containing carbonyl groups, the shift in carbonyl absorption is also a measure of basicity. The acidity and basicity constants obtained for polymers are in good agreement with the values for small-molecule analogs. The enthalpies of hydrogen bond formation in polymer mixtures are calculated from the acidity or basicity constants.     

Electronic quasiparticles and evolution of Fermi level spin states in thin magnetic layers

Here we report on high-resolution photoemission of iron layers grown on a W(1 1 0) substrate. The evolution of the substrate states upon sub-monolayer adsorption of Fe atoms leads to a shift in surface state binding energy. For thicker (1 1 0) films, sharp metallic surface states are obtained. Their dispersion displays the signature of quasiparticle renormalization due to dressing with excitations. The energy scale is characteristic for the spin wave spectrum in iron, thereby giving evidence of electron-magnon coupling. Furthermore, it is found that quantum well states occur as a function of layer thickness. These modify the spin density of states at the Fermi level in the ferromagnetic film.     

Asynchronous and corrected-asynchronous finite difference solutions of PDEs on MIMD multiprocessors

A major problem in achieving significant speed-up on parallel machines is the overhead involved with synchronizing the concurrent processes. Removing the synchronization constraint has the potential of speeding up the computation, while maintaining greater computation flexibility (e.g. differences in processors speed; differences in the data input to processors). We construct asynchronous (AS) finite difference schemes for the solution of PDEs by removing the synchronization constraint. We analyze the numerical properties of these schemes. Based on the analysis, we develop corrected-asynchronous (CA) finite difference schemes which are specifically constructed for an asynchronous processing. We present asynchronous (AS) and corrected-asynchronous (CA) finite difference schemes for the multi-dimensional heat equation. Although our discussion concentrates on the Euler scheme it should serve only as a sample, as it can be extended to other schemes and other PDEs.These schemes are implemented on the shared-memory multi-userSequent Balance machine. Numerical results for one and two dimensional problems are presented. It is shown experimentally that synchronization penalty can be about 50% of run time: in most cases, the asynchronous scheme runs twice as fast as the parallel synchronous scheme. In general, the efficiency of the parallel schemes increases with processor load, with the time-level, and with the problem dimension. The efficiency of the AS may reach 90% and over, but it provides accurate results only for steady-state values. The CA, on the other hand, is less efficient but provides more accurate results for intermediate (non steady-state) values. The results show the potential of developing asynchronous finite deference schemes for steady-state as well as non steadystate problems.This research was partially supported by a grant from The Basic Research Foundation administrated by The Israel Academy of Sciences and Humanities.A reduced version of the paper was presented at the 4th SIAM Conference on Parallel Processing for Scientific Computing, Dec. 11–13, 1989, Chicago, USA.The work by this author was supported by research grant 337 of the Israeli National Council for Research and Development in the years 1990–1991.This research was supported by the National Aeronautics and Space Administration under NASA Contract No. NASI-18107 while the author was in residence at the Institute for Computer Applications in Sciences and Engineering (ICASE), NASA Langley Research Center, Hampton, VA 23665, USA.     

On the surjectivity of some trace maps

LetK be a commutative ring with a unit element 1. Let Γ be a finite group acting onK via a mapt: Γ→Aut(K). For every subgroupH≤Γ define tr _H :K→K ^H by tr _h (x)=Σ_σ∈H σ(x). We proveTheorem: tr_Γ is surjective onto K ^Γ if and only if tr _P is surjective onto K ^P for every (cyclic) prime order subgroup P of Γ. This is false for certain non-commutative ringsK.     

Orthogonal polynomials for exponential weights on

Let I=[0,d), where d is finite or infinite. Let , where and Q is continuous and increasing on I, with limit ∞ at d. We study the orthonormal polynomials associated with the weight , obtaining bounds on the orthonormal polynomials, zeros, and Christoffel functions. In addition, we obtain restricted range inequalities.     

Influence of Solution Volume on the Dissolution Rate of Silicon Dioxide in Hydrofluoric Acid

Experimental data and modeling of the dissolution of various Si/SiO₂ thermal coatings in different volumes of hydrofluoric acid (HF) are reported. The rates of SiO₂‐film dissolution, measured by means of various electrochemical techniques, and alteration in HF activity depend on the thickness of the film coating. Despite the small volumes (0.6–1.2 mL) of the HF solution, an effect of SiO₂‐coating thickness on the dissolution rate was detected. To explain alterations detected in HF activity after SiO₂ dissolution, spectroscopic analyses (NMR and FTIR) of the chemical composition of the solutions were conducted. This is associated with a modification in the chemical composition of the HF solution, which results in either the formation of an oxidized species in solution or the precipitation of dissolution products. HF₂^? accumulation in the HF solution, owing to SiO₂ dissolution was identified as the source of the chemical alteration.     

Determination of phytic acid and inositolphosphates in barley

Phytic acid (PA) and lower inositolphosphates (InsP(n) ) is the main storage form of phosphorus in grains or seeds. The content of PA and InsP(n) in different varieties of barley was analyzed by capillary isotachophoresis and online-coupled capillary isotachophoresis with CZE. The electrolytes (in demineralized water) for the isotachophoretic analysis consisted of 10?mM HCl, 14?mM glycylglycine, and 0.1% 2-hydroxyethylcellulose (leading) and 10?mM citric acid (terminating). The optimized electrolytes for the online coupling isotachophoresis with zone electrophoresis analysis were mixtures of 5?mM HCl, 7?mM glycylglycine, and 0.1% 2-hydroxyethylcellulose (leading), 20?mM citric acid, 10?mM glycylglycine, and 0.1% 2-hydroxyethylcellulose (background) and 10?mM citric acid (terminating). PA and all studied InsP(n) were separated within 25?min and detected by a conductivity detector. Simple sample preparation (acidic extraction), sufficient sensitivity, speed of analysis, and low running cost are important attributes of the electrophoretic methods. The method was used for the determination of PA and InsP(n) in barley varieties within an ongoing research project.     

The porosity, acidity, and reactivity of dealuminated zeolite ZSM-5 at the single particle level: the influence of the zeolite architecture

A combination of atomic force microscopy (AFM), high‐resolution scanning electron microscopy (HR‐SEM), focused‐ion‐beam scanning electron microscopy (FIB‐SEM), X‐ray photoelectron spectroscopy (XPS), confocal fluorescence microscopy (CFM), and UV/Vis and synchrotron‐based IR microspectroscopy was used to investigate the dealumination processes of zeolite ZSM‐5 at the individual crystal level. It was shown that steaming has a significant impact on the porosity, acidity, and reactivity of the zeolite materials. The catalytic performance, tested by the styrene oligomerization and methanol‐to‐olefin reactions, led to the conclusion that mild steaming conditions resulted in greatly enhanced acidity and reactivity of dealuminated zeolite ZSM‐5. Interestingly, only residual surface mesoporosity was generated in the mildly steamed ZSM‐5 zeolite, leading to rapid crystal coloration and coking upon catalytic testing and indicating an enhanced deactivation of the zeolites. In contrast, harsh steaming conditions generated 5–50 nm mesopores, extensively improving the accessibility of the zeolites. However, severe dealumination decreased the strength of the Brønsted acid sites, causing a depletion of the overall acidity, which resulted in a major drop in catalytic activity.