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  • 1
    Electronic Resource
    Electronic Resource
    A quantum mechanical and quasi-classical trajectory study of the Cl+H2 reaction and its isotopic variants: Dependence of the integral cross section on the collision energy and reagent rotation (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 2074-2081 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Quantum mechanical (QM) and quasi-classical trajectory (QCT) calculations have been performed for the Cl+H2, Cl+D2, Cl+HD→ HCl(DCl)+D(H) reactions in order to determine integral cross sections as a function of collision energy and for different reagent rotational quantum numbers using the recent ab initio BW2 potential energy surface (PES) by Bian and Werner [J. Chem. Phys. 112, 220 (2000)]. The results are compared with experimental data obtained by using the Doppler-selected time-of-flight technique. It has been found theoretically by both the QM and QCT methods that reagent rotation enhances reactivity in agreement with experiment. The QM results are found to be in quantitative agreement with the experimental excitation functions for the Cl+p-H2 and Cl+n-H2 reactions, whereas those obtained quasi-classically fail to reproduce the experimental data. These results are in strong contrast with those reported on the previous G3 PES, in which QM and QCT calculations predicted that reactivity decreases with reagent rotation. The intermolecular isotope effect, i.e., the ratio between the cross sections of the Cl+n-H2 and Cl+n-D2 reactions, Γinter(Cl+n-H2/Cl+n-D2), predicted by QM calculations on the BW2 surface is notably larger than that obtained experimentally. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1385155
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  • 2
    Electronic Resource
    Electronic Resource
    On the determination of D00 (CaCl) from translational energy threshold measurements (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 2760-2764 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: By using the crossed-beam technique the translational energy threshold for the Ca(3PJ)+HCl→CaCl (A 2Π)+H chemiluminescent reaction was found to be E0=350±60 meV. By means of energy balance relations, a value of D00 (CaCl)=4.2±0.09 eV was obtained. The potentiality of the present method, based on translational energy measurements, to determine dissociation energies is addressed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465184
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  • 3
    Electronic Resource
    Electronic Resource
    Crossed-beam (full collision) versus van der Waals (half collision) studies. Application to the determination of the D00(Ca...HCl) (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 756-757 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dissociation energy of the van der Waals molecule Ca...HCl in its ground state, D00(Ca...HCl), has been determined using energy balance arguments. By combining collisional information from the Ca(3P)+HCl→CaCl(A 2Π)+H reaction with spectroscopic information from the Ca...HCl+hν→CaCl(A 2Π)+H reaction we found D00(Ca...HCl)≤150 meV.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.466895
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  • 4
    Electronic Resource
    Electronic Resource
    Catalytic partial oxidation of methane to synthesis gas in a ceramic membrane reactor (1994)
    Springer
    Catalysis letters 30 (1994), S. 189-199 
    Details
    ISSN: 1572-879X
    Keywords: methane oxidation ; synthesis gas ; membrane reactors
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Methane has been selectively converted to synthesis gas using a two-zone fixed bed of a Ni/Al2O3 catalyst inside a modified ceramic membrane. The first zone of the reactor was surrounded by an impervious wall, and therefore behaved as a conventional fixed bed reactor. In the second zone, some of the reaction products could preferentially diffuse out of the reactor, which yielded higher than equilibrium methane conversions. The influence of the different operating conditions has been studied, and the performance of the membrane reactor has been compared to that of a fixed bed reactor. The membrane reactor has also been used at pressures above atmospheric (2 bar), with good conversions and selectivities.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00813685
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  • 5
    Electronic Resource
    Electronic Resource
    Development and application of perovskite‐based catalytic membrane reactors (1998)
    Springer
    Catalysis letters 54 (1998), S. 69-78 
    Details
    ISSN: 1572-879X
    Keywords: catalytic membranes ; perovskites ; VOC combustion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The preparation and characterization of catalytic membranes containing La‐based perovskites are reported. The membranes were prepared by in situ crystallization of different perovskites inside a porous α‐alumina matrix. Preponderance of the Knudsen‐diffusion regime during membrane operation was obtained with perovskite loads of 2 wt% and higher. The catalytic membranes obtained were used as combustors of VOCs (toluene and methyl ethyl ketone) contained in air streams, at concentrations between 875 and 3450 ppmV, and space velocities of up to 27200 h-1. The membranes were operated in the flow‐through mode, which resulted in total VOC combustion at moderate temperatures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1019003216521
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  • 6
    Electronic Resource
    Electronic Resource
    Oxidative dehydrogenation of n-butane on V/MgO catalysts. Influence of the type of contactor (1998)
    Springer
    Catalysis letters 50 (1998), S. 25-30 
    Details
    ISSN: 1572-879X
    Keywords: oxidative dehydrogenation of n-butane ; reactor selection ; redox fluidized-bed reactor ; vanadium magnesium mixed oxide catalyst
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A comparative study of the catalytic performance of a selective V-Mg-O catalyst in the oxidative dehydrogenation of n-butane is presented using three different types of reactor: (i) an adiabatic fixed-bed reactor; (ii) a fluidized-bed reactor; and (iii) an in situ redox fluidized-bed reactor. The results obtained indicate that the in situ redox fluidized-bed reactor outperforms the conventional fixed- and fluidized-bed reactors, especially at high n-butane conversions. Thus, a selectivity to C4 olefins of 54% at n-butane conversions of 60% was achieved at 550°C using an in situ redox fluidized-bed reactor while selectivities to C4-olefins lower than 43% were obtained on the other reactor types under the same reaction conditions (isoconversion and reaction temperature).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1019086112094
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  • 7
    Electronic Resource
    Electronic Resource
    (h, Φ)-entropy differential metric (1997)
    Springer
    Applications of mathematics 42 (1997), S. 81-98 
    Details
    ISSN: 1572-9109
    Keywords: (h, Φ)-entropy measures ; information metric ; geodesic distance between probability distributions ; maximum likelihood estimators ; asymptotic distributions ; Cramér-Rao inequality
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics
    Notes: Abstract Burbea and Rao (1982a, 1982b) gave some general methods for constructing quadratic differential metrics on probability spaces. Using these methods, they obtained the Fisher information metric as a particular case. In this paper we apply the method based on entropy measures to obtain a Riemannian metric based on (h, Φ)-entropy measures (Salicrú et al., 1993). The geodesic distances based on that information metric have been computed for a number of parametric families of distributions. The use of geodesic distances in testing statistical hypotheses is illustrated by an example within the Pareto family. We obtain the asymptotic distribution of the information matrices associated with the metric when the parameter is replaced by its maximum likelihood estimator. The relation between the information matrices and the Cramér-Rao inequality is also obtained.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022214326758
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  • 8
    Electronic Resource
    Electronic Resource
    Kinetics of catalyst regeneration by coke combustion. I. Increased reaction rate due to the presence of chromium (1991)
    Springer
    Reaction kinetics and catalysis letters 44 (1991), S. 445-450 
    Details
    ISSN: 1588-2837
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Abstract Проведены кинетические исследования регенерирования коммерческих катализаторов Cr2O3/Al2O3 с помощью сжигания кокса. Обнаружено, что скорость реакции на несколько порядков выше, чем для катализаторов без переходных металлов.
    Notes: Abstract A kinetic study has been carried out of the regeneration of a commercial Cr2O3/Al2O3 catalyst by coke combustion. The results obtained show that the reaction rate is several orders of magnitude higher than that obtained on catalysts without transition metals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02073013
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  • 9
    Electronic Resource
    Electronic Resource
    Kinetics of catalyst regeneration by coke combustion. II. Influence of temperature rise in the catalyst particles (1991)
    Springer
    Reaction kinetics and catalysis letters 44 (1991), S. 279-285 
    Details
    ISSN: 1588-2837
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Abstract Использовали модель типа таблетки-зерна в рассмотрении влияния высоких скоростей реакций на температурные профили, образующиеся в ходе регенерирования зауглероженных катализаторов. На основе полученных данных обсуждают возможность фальсификации кинетических данных.
    Notes: Abstract A grain-pellet model has been used to study the effect of high reaction rates upon the temperature profiles developed during regeneration of coked catalyst particles. The possibility of falsification of kinetic data is discussed in view of the results obtained.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02072990
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  • 10
    Electronic Resource
    Electronic Resource
    Methane oxidative coupling over different alkalidoped catalysts: A comparison of ceramic membrane reactors and conventional fixed bed reactors (1996)
    Springer
    Reaction kinetics and catalysis letters 59 (1996), S. 277-284 
    Details
    ISSN: 1588-2837
    Keywords: Methane oxidative coupling ; ceramic membrane ; fixed bed
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Methane oxidative coupling has been carried out over Li/MgO, Li/Sn/MgO, Li/Na/MgO, Li/La/MgO, Na/Sm2O3, NaCl/CsCl/MgO and Na/W/Mn/SiO2 catalysts, using a fixed bed reactor and an inert ceramic membrane reactor in which the membrane acted as an oxygen distributor to the catalytic bed. In most cases, the ceramic membrane reactor provided a significantly higher selectivity than the fixed bed reactor, at the same conversion level.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02068124
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