1H and C-13 Nuclear Magnetic Resonance of Tiaprofenic Acid

¹H-NMR spectrum of tiaprofenic acid in CDCI3 was obtained and proton chemical shifts from tetramethylsilane were assigned to each proton and set of equivalent protons of the molecule. The hydroxy proton of the carboxylic acid group was confirmed by deuterium exchange. The natural abundance C-13 nuclear magnetic resonance spectrum of the compound in CDCI3 was recorded using Fourier transorm technique. The chemical shifts of carbon resonances have been assigned on the basis of the chemical shift additivity theory and the signal multiplicity observed in the single frequency off-resonance decoupled (SFORD) spectrum. Also comparison with carbon chemical shifts of model compounds were useful.     

Radiometrie Investigations into Gas-Solid-Fluidized Beds

Investigations made into a gas-solid-fluidized bed model reactor, aiming at obtaining statements about the spatial and time density distributions within the fluidized bed and the correlation between the state of the turbulent layer and a characteristic measured quantity as well as variation of a physical property of the solid. statisticl evaluation techniques are indispensable, owing to the elementary actions occuring within the fluidized bed reactor and their random nature. Such parameters of the fluidized bed could be determined from a totality of individual measurements for measuring periods of 10 ms per single measurement by use of a miniature measuring probe within the interior of the fluidized bed reactor. This probe consisted of a beta-radition source and a Si-surface barrier-layer detector.     

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Elementveruninigungen auch im Spurenbereich (ppm, ppb) becinflussen die Qualität von Halbleiterselen. Bei der Bestimmung interssierender Elemente (Ag, As, Au, Cd, Ga, Sb, Tl) mittles NAA ist mich der Neutronenbestrahlung im Kernreaktor wegen der Störung dutch die entstehende hohe Matrixaktiviät, der Anwesenheit reiner Betastrahler oder infolge Linienüberlagerung im Gammaspektrum im allgemeinen Keine instrumente NAA möglich. Daher müssen nache Zugabe inaktiver Träger und der Matrixabtrennung die interessierenden E-emente durch konventionel-e chemisch-analytische Trennverfahren (Extraktion, Fällung, Ionenaustausch) isoliert warden.     

Precise Radiometry: Some Recent Aspects of Fruitful Interaction with Atomic Physics

Modern radiometric analytics demands a complex consideration of nuclear and electron shell processes, if more pretentious aims are envisaged. As an example the small variation of decay rates of radionuclides presents possibilities for information on chemical situations of decaying atoms. In principle this phenomenon is well known since many years, but now the situation is such that, e.g. in ^99mTc internal conversion, a full agreement of the difficult experiments and the respective theory was established. The secondary emission of X-rays as a consequence of high excitation of electron shells in combination with nuclear transitions supplies another example for a methodical progress of radiometry. Investigations on ⁵¹Cr as an electron capture nuclide have shown that chemically induced variations of the K_α to K_β X-ray intensity ratio is at least qualitatively understood.     

Radioimmunologische Bestimmung von Pflanzenhormonen

In vorliegender Arbeit wird eine kurze Darstellung der Grundlagen, Erfordernisse, Vor- und Nachteile des Radioimmunoassay für Pflanzenhormone gegeben.

The purpose of this paper is to discuss briefly the basis, requirements, advantages, and disadvantages of radioimmunoassay with respect to plant hormones.     

Short sisal fiber reinforced polypropylene composites: the role of interface modification on ultimate properties

Sisal fibers have been used for the reinforcement of polypropylene matrix. The compatibilization between the hydrophilic cellulose fiber and hydrophobic PP has been achieved through treatment of cellulose fibers with sodium hydroxide, isocyanates, maleic anhydride modified polypropylene (MAPP), benzyl chloride and by using permanganate. Various fiber treatments enhanced the tensile properties of the composites considerably, but to varying degrees. The SEM photomicrographs of fracture surfaces of the treated composites clearly indicated the extent of fiber–matrix interface adhesion, fiber pullout and fiber surface topography. Surface fibrillation is found to occur during alkali treatment which improves interfacial adhesion between the fiber and PP matrix. The grafting of the fibers by MAPP enhances the tensile strength of the resulting composite. It has been found that the urethane derivative of polypropylene glycol and cardanol treatments reduced the hydrophilic nature of sisal fiber and thereby enhanced the tensile properties of the sisal–PP composites, as evident from the SEM photomicrographs of the fracture surface. The IR spectrum of the urethane derivative of polypropylene glycol gave evidence for the existence of a urethane linkage. Benzoylation of the fiber improves the adhesion of the fiber to the PP matrix. The benzoylated fiber was analyzed by IR spectroscopy. Experimental results indicated a better compatibility between benzoylated fiber and PP. The observed enhancement in tensile properties of permanganate-treated composites at a low concentration is due to the permanganate-induced grafting of PP on to sisal fibers. Among the various treatments, MAPP treatment gave superior mechanical properties. Finally, experimental results of the mechanical properties of the composite have been compared with theoretical predictions.     

Size-dependent electron chemical potential: Effect on particle charging

Electrostatic charging of particles of identical composition, but different sizes, is a poorly understood phenomenon that may be of importance in dust storms, generation of lightning, numerous technological applications involving solid particulates, and in the agglomeration of lunar dust and inter-stellar dust clouds. We show that under optical excitation, the relative magnitude of surface to volume de-excitation gives size-dependent electron and hole concentrations. The consequent differences in chemical potentials can lead to charge transfer between particles of different size. The direction of charge transfer, from large to small or vice versa, depends critically on the properties of the materials.     

Computational singular perturbation with non-parametric tabulation of slow manifolds for time integration of stiff chemical kinetics

This paper presents a novel tabulation strategy for the adaptive numerical integration of chemical kinetics using the computational singular perturbation (CSP) method. The strategy stores and reuses CSP quantities required to filter out fast dissipative processes, resulting in a non-stiff chemical source term. In particular, non-parametric regression on low-dimensional slow invariant manifolds (SIMs) in the chemical state space is used to approximate the CSP vectors spanning the fast chemical subspace and the associated fast chemical time-scales. The relevant manifold and its dimension varies depending on the local number of exhausted modes at every location in the chemical state space. Multiple manifolds are therefore tabulated, corresponding to different numbers of exhausted modes (dimensions) and associated radical species. Non-parametric representations are inherently adaptive, and rely on efficient approximate-nearest-neighbor queries. As the CSP information is only a function of the non-radical species in the system and has relatively small gradients in the chemical state space, tabulation occurs in a lower-dimensional state space and at a relatively coarse level, thereby improving scalability to larger chemical mechanisms. The approach is demonstrated on the simulation of homogeneous constant pressure H₂–air and CH₄–air ignition, over a range of initial conditions. For CH₄–air, results are shown that outperform direct implicit integration of the stiff chemical kinetics while maintaining good accuracy.     

Integration of large chemical kinetic mechanisms via exponential methods with Krylov approximations to Jacobian matrix functions

Recent trends in hydrocarbon fuel research indicate that the number of species and reactions in chemical kinetic mechanisms is rapidly increasing in an effort to provide predictive capabilities for fuels of practical interest. In order to cope with the computational cost associated with the time integration of stiff, large chemical systems, a novel approach is proposed. The approach combines an exponential integrator and Krylov subspace approximations to the exponential function of the Jacobian matrix. The components of the approach are described in detail and applied to the ignition of stoichiometric methane–air and iso-octane–air mixtures, here described by two widely adopted chemical kinetic mechanisms. The approach is found to be robust even at relatively large time steps and the global error displays a nominal third-order convergence. The performance of the approach is improved by utilising an adaptive algorithm for the selection of the Krylov subspace size, which guarantees an approximation to the matrix exponential within user-defined error tolerance. The Krylov projection of the Jacobian matrix onto a low-dimensional space is interpreted as a local model reduction with a well-defined error control strategy. Finally, the performance of the approach is discussed with regard to the optimal selection of the parameters governing the accuracy of its individual components.     

Multi-environment probability density function method for modelling turbulent combustion using realistic chemical kinetics

A computational fluid dynamics (CFD) tool for performing turbulent combustion simulations that require finite-rate chemistry is developed and tested by modelling a series of bluff-body stabilized flames that exhibit different levels of finite-rate chemistry effects ranging from near equilibrium to near global extinction. The new modelling tool is based on the multi-environment probability density function (MEPDF) methodology and combines the following: the direct quadrature method of moments (DQMOM); the interaction-by-exchange-with-the-mean (IEM) mixing model; and realistic combustion chemistry. Using DQMOM, the MEPDF model can be derived from the transport PDF equation by depicting the joint composition PDF as a weighted summation of a finite number of multi-dimensional Dirac delta functions in the composition space. The MEPDF method with multiple reactive scalars retains the unique property of the joint PDF method of treating chemical reactions exactly. However, unlike the joint PDF methods that typically must resort to particle-based Monte-Carlo solution schemes, the MEPDF equations (i.e. the transport equations of the weighted delta-peaks) can be solved by traditional Eulerian grid-based techniques. In the current study, a pseudo time-splitting scheme is adopted to solve the MEPDF equations; the reaction source terms are computed with a highly efficient and accurate in-situ adaptive tabulation (ISAT) algorithm. A 19-species reduced mechanism based on quasi-steady state assumptions is used in the simulations of the bluff-body flames. The modelling results are compared with the experimental data, including mixing, temperature, major species and important minor species such as CO and NO. Compared with simulations using a Monte-Carlo joint PDF method, the new approach shows comparable accuracy.