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41.
The preparation and H2S sensing potential of thick‐films of a mixed oxide, Fe2O3? Fe2(MoO4)3, were investigated. A Fourier‐transform infrared (FTIR) study confirmed the existence of sulfur species at the surface after the interaction of H2S gas with the mixed oxide. The starting material, β‐FeMoO4, was synthesized by a solvothermal method, followed by supercritical drying. Heat treatment of this material (oxidation) above 500 °C resulted in the formation of Fe2O3? Fe2(MoO4)3 mixed oxide, where Fe2O3 was a by‐product. An increase in the conductivity of the films in the presence of H2S gas (concentration range 1–20 ppm in air) was observed with the simultaneous formation of water and sulfide ions at 225 °C. An improvement of the H2S sensing potential is obtained, using an intermediate short heat treatment at higher temperature (500 °C) in the beginning of recovery (desorption) phase. This intermediate high temperature, used before every expected exposure to H2S gas, may contribute the formation of an initial surface coverage of O2?. 相似文献
42.
We consider an inverse source problem for an inhomogeneous wave equation with discrete-in-time sources, modeling a seismic rupture. The inverse source problem, with an arbitrary source term on the right-hand side of the wave equation, is not uniquely solvable. Here we formulate conditions on the source term that allow us to show uniqueness and that provide a reasonable model for the application of interest. We assume that the source term is supported on a finite set of times and that the support in space moves with subsonic velocity. Moreover, we assume that the spatial part of the source is singular on a hypersurface, an application being a seismic rupture along a fault plane. Given data collected over time on a detection surface that encloses the spatial projection of the support of the source, we show how to recover the times and locations of sources microlocally and then reconstruct the smooth part of the source assuming that it is the same at each source location. 相似文献
43.
Matti?Lassas Lauri?OksanenEmail authorView authors OrcID profile Yang?Yang 《Mathematische Annalen》2016,365(1-2):271-307
We consider an inverse problem for a Lorentzian spacetime (M, g), and show that time measurements, that is, the knowledge of the Lorentzian time separation function on a submanifold \(\Sigma \subset M\) determine the \(C^\infty \)-jet of the metric in the Fermi coordinates associated to \(\Sigma \). We use this result to study the global determination of the spacetime (M, g) when it has a real-analytic structure or is stationary and satisfies the Einstein-scalar field equations. In addition to this, we require that (M, g) is geodesically complete modulo scalar curvature singularities. The results are Lorentzian counterparts of extensively studied inverse problems in Riemannian geometry—the determination of the jet of the metric and the boundary rigidity problem. We give also counterexamples in cases when the assumptions are not valid, and discuss inverse problems in general relativity. 相似文献
44.
We prove an Itô–Tanaka formula and existence of pathwise stochastic integrals for a wide class of Gaussian processes. Motivated by financial applications, we define the stochastic integrals as forward-type pathwise integrals introduced by Föllmer and as pathwise generalized Lebesgue–Stieltjes integrals introduced by Zähle. As an application, we illustrate the importance of the Itô–Tanaka formula for pricing and hedging of financial derivatives. 相似文献
45.
46.
X-ray fluorescence spectrometry (XRF) was applied to determine aluminium in AlCl3- and Al2O3-modified silica catalyst supports that were prepared by gas-solid reactions in an atomic layer epitaxy (ALE) process using
aluminium chloride or aluminium chloride and water as adsorbates and silica as support. INAA and AAS were used as reference
methods to determine the aluminium content of the supports. The calibration of XRF results was done by plotting the Al/Si
intensity ratios against the aluminium content as determined by atomic absorption spectrometry (AAS) and verified by instrumental
neutron activation analysis (INAA). Correlation factors for the calibration graphs were 0.984 for AlCl3/SiO2 and 0.995 for Al2O3/ SiO2 samples in the aluminium content range 0–2.6 g Al per 100 g of sample.
Received: 19 October 1998 / Accepted: 14 December 1998 相似文献
47.
We have performed Monte Carlo simulations of homogeneous and heterogeneous nucleations of Lennard-Jones argon clusters. The simulation results were interpreted using the major concept posing a difference between the homogeneous and heterogeneous classical nucleation theories-the contact parameter. Our results show that the multiplication concept of the classical heterogeneous nucleation theory describes the cluster-substrate interaction surprisingly well even for small molecular clusters. However, in the case of argon nucleating on a rigid monolayer of fcc(111) substrate at T=60 K, the argon-substrate atom interaction being approximately one-third as strong as the argon-argon interaction, the use of the classical theory concept results in an underestimation of the heterogeneous nucleation rate by two to three orders of magnitude even for large clusters. The main contribution to this discrepancy is induced by the failure of the classical theory of homogeneous nucleation to predict the energy involved in bringing one molecule from the vapor to the cluster for clusters containing less than approximately 15 molecules. 相似文献
48.
Abnormal inversion splitting in NH2D: rotational analysis of the nu5 bending vibrational band system
A high-resolution Fourier transform infrared spectrum of the nu(5) bending vibrational band system region of the partially deuterated ammonia molecule NH(2)D has been measured and rotationally analyzed. The spectrum consists of strong a-type transitions between the states of same vibrational symmetry and weaker c-type transitions between the states of different vibrational symmetry. The Hamiltonian model used includes interaction terms between the rotational states of both upper and lower inversion doublets. The vibrational term values for the symmetric and the antisymmetric component of the upper-inversion doublet are 1,605.637 965(620) cm(-1) and 1,590.993 82(100) cm(-1), respectively, where the numbers in parentheses are one-standard deviations in the least significant digit. These figures are close to the corresponding values 1,605.62 cm(-1) and 1,590.72 cm(-1) obtained recently from results based on high-level ab initio calculations. The order of the vibrational term values is abnormal in the ammonia family, as typically the symmetric state is lower in wavenumber than the antisymmetric one. 相似文献
49.
Toom L Kütt A Kaljurand I Leito I Ottosson H Grennberg H Gogoll A 《The Journal of organic chemistry》2006,71(19):7155-7164
Basicity constants for a series of 3,7-diazabicyclo[3.3.1]nonane derivatives in acetonitrile with a variation over 13 orders of magnitude have been determined using a spectrophotometric titration technique. An excellent correlation between basicity and calculated proton affinities obtained at PCM-B3LYP/6-31+G(d)//B3LYP/6-31G(d) level was found. The results are discussed in terms of substituent effects and compared to (15)N NMR chemical shifts. 相似文献
50.
We have studied the vibrational high-frequency spectrum of the water trimer computationally. We expand an earlier study [J. Chem. Phys. A 2009, 113, 9124-9132] where we approximated the water trimer as three individually vibrating water monomer units. Some intramolecular potential energy coupling terms are now included in the previous model. The six OH bond lengths and the three HOH bending angles are used as the internal coordinates. The kinetic energy operator is a sum of the kinetic energy operators of the monomer units. We use the coupled cluster method with single, double, and perturbative triple excitations method [CCSD(T)] with augmented correlation consistent polarized valence triple-ζ (aug-cc-pVTZ) basis set to calculate the potential energy surface (PES). The counterpoise correction is included in the one-dimensional part of the PES. We calculate the vibrational energy eigenvalues using the variational method. The corresponding eigenfunctions are used to obtain the absorption intensities. 相似文献