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A numerical model for the carburization of iron in CO‐H2‐He mixtures was developed and compared with experimental data over the temperature range of 850°C–1150°C, CO partial pressures from 1% to 12%, and H2 partial pressures from 5% to 99%. The reaction mechanism was established on the basis of data input from recent quantum mechanical and molecular dynamics calculations as well as from rate constant estimates from kinetic and transition state theory. Sensitivity and reaction flux analyses were performed to identify the rate‐controlling and fastest reactions. Model predictions of carbon weight gain in iron samples versus time were compared with experimental data. The most sensitive reactions were refined by least‐squares fitting the model to the experiment. The resulting model can simulate and predict the trends of iron carburization in CO‐H2‐He‐CO2‐H2O mixtures for most conditions studied experimentally. Critical reactions and model parameters are identified for additional study to improve the model and understanding of the carburization mechanism. © 2009 Wiley Periodicals, Inc. Int J Chem Kinet 41: 337–348, 2009 相似文献
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D.N. Yetter 《Advances in Mathematics》2003,174(2):266-309
Crane and Yetter (Deformations of (bi)tensor categories, Cahier de Topologie et Géometrie Differentielle Catégorique, 1998) introduced a deformation theory for monoidal categories. The related deformation theory for monoidal functors introduced by Yetter (in: E. Getzler, M. Kapranov (Eds.), Higher Category Theory, American Mathematical Society Contemporary Mathematics, Vol. 230, American Mathematical Society, Providence, RI, 1998, pp. 117-134.) is a proper generalization of Gerstenhaber's deformation theory for associative algebras (Ann. Math. 78(2) (1963) 267; 79(1) (1964) 59; in: M. Hazewinkel, M. Gerstenhaber (Eds.), Deformation Theory of Algebras and Structure and Applications, Kluwer, Dordrecht, 1988, pp. 11-264). In the present paper we solidify the analogy between lax monoidal functors and associative algebras by showing that under suitable conditions, categories of functors with an action of a lax monoidal functor are abelian categories. The deformation complex of a monoidal functor is generalized to an analogue of the Hochschild complex with coefficients in a bimodule, and the deformation complex of a monoidal natural transformation is shown to be a special case. It is shown further that the cohomology of a monoidal functor F with coefficients in an F,F-bimodule is given by right derived functors. 相似文献
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D. N. Yetter 《Applied Categorical Structures》2005,13(5-6):469-500
We develop the theory of categories of measurable fields of Hilbert spaces and bounded fields of operators. We examine classes
of functors and natural transformations with good measure theoretic properties, providing in the end a rigorous construction
for the bicategory used in [3] and [4] as the basis for a representation theory of (Lie) 2-groups. Two important technical results are established along the way:
first it is shown that all invertible additive bounded functors (and thus a fortiori all invertible *-functors) between categories of measurable fields of Hilbert spaces are induced by invertible measurable
transformations between the underlying Borel spaces and second we establish the distributivity of Hilbert space tensor product
over direct integrals over Lusin spaces with respect to σ-finite measures. The paper concludes with a general definition of measurable bicategories. 相似文献
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K H?kansson RA Zubarev RV Coorey VL Talrose P H?kansson 《Rapid communications in mass spectrometry : RCM》1999,13(12):1169-1174
An HMX/insulin two-layer system was chosen as a model for further investigation of the matrix properties of explosive materials for protein analytes in plasma desorption mass spectrometry. The dependencies of the molecular ion yield and average charge state as a function of the analyte thickness were studied. An increase in the charge state of multiply protonated molecular species was confirmed as the major matrix effect, with the average charge state z at the smallest thickness studied being higher than in matrix-assisted laser desorption/ionization and closer to the value obtained in electrospray ionization under standard acidic conditions. Observed charge state distributions are significantly narrower than the corresponding Poisson distributions, which suggests that the protonation of insulin is limited in plasma desorption by the number of basic sites in the molecule, similar to electrospray ionization. Both the curve displaying total molecular ion yield and the one showing the total charge (proton) yield as a function of the insulin thickness have maxima at a thickness different from an insulin monolayer. These observations diminish the significance of a matrix/analyte interface mechanism for the explosive matrix assistance. Instead, a mechanism related to the chemical energy release during conversion of the explosive after the ion impact is proposed. As additional mechanisms, enhanced protonation of the analyte through collisions with products of the explosive decay is considered, as well as electron scavenging by other products, which leads to a higher survival probability of positively charged protein molecular ions. Copyright 1999 John Wiley & Sons, Ltd. 相似文献
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Numerous organic and inorganic laboratory standards were gathered from nine European and North American laboratories and were analyzed for their delta(18)O values with a new on-line high temperature pyrolysis system that was calibrated using Vienna standard mean ocean water (VSMOW) and standard light Antartic precipitation (SLAP) internationally distributed reference water samples. Especially for organic materials, discrepancies between reported and measured values were high, ranging up to 2 per thousand. The reasons for these discrepancies are discussed and the need for an exact and reliable calibration of existing reference materials, as well as for the establishment of additional organic and inorganic reference materials is stressed. Copyright 1999 John Wiley & Sons, Ltd. 相似文献
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Using the theory of measurable categories developed in [10], we provide a notion of representations of 2-groups better suited to physically and geometrically interesting examples than
that using 2-VECT (cf. [8]). Using this theory we sketch a 2-categorical approach to the state-sum model for Lorentzian quantum gravity proposed in
[6], and suggest state-integral constructions for 4-manifold invariants. 相似文献