The Development and use of Rate Equations for Catalytic Refinery Processes

Author(s):  
G.B. Marin ◽  
G.F. Froment
Keyword(s):  
1988 ◽  
Vol 102 ◽  
pp. 215
Author(s):  
R.M. More ◽  
G.B. Zimmerman ◽  
Z. Zinamon

Autoionization and dielectronic attachment are usually omitted from rate equations for the non–LTE average–atom model, causing systematic errors in predicted ionization states and electronic populations for atoms in hot dense plasmas produced by laser irradiation of solid targets. We formulate a method by which dielectronic recombination can be included in average–atom calculations without conflict with the principle of detailed balance. The essential new feature in this extended average atom model is a treatment of strong correlations of electron populations induced by the dielectronic attachment process.


Author(s):  
E. Holzäpfel ◽  
F. Phillipp ◽  
M. Wilkens

During in-situ radiation damage experiments aiming on the investigation of vacancy-migration properties interstitial-type dislocation loops are used as probes monitoring the development of the point defect concentrations. The temperature dependence of the loop-growth rate v is analyzed in terms of reaction-rate theory yielding information on the vacancy migration enthalpy. The relation between v and the point-defect production rate P provides a critical test of such a treatment since it is sensitive to the defect reactions which are dominant. If mutual recombination of vacancies and interstitials is the dominant reaction, vαP0.5 holds. If, however, annihilation of the defects at unsaturable sinks determines the concentrations, a linear relationship vαP is expected.Detailed studies in pure bcc-metals yielded vαPx with 0.7≾×≾1.0 showing that besides recombination of vacancies and interstitials annihilation at sinks plays an important role in the concentration development which has properly to be incorporated into the rate equations.


Author(s):  
J. Allègre ◽  
P. Lefebvre ◽  
J. Camassel ◽  
B. Beaumont ◽  
Pierre Gibart

Time-resolved photoluminescence spectra have been recorded on three GaN epitaxial layers of thickness 2.5 μm, 7 μm and 16 μm, at various temperatures ranging from 8K to 300K. The layers were deposited by MOVPE on (0001) sapphire substrates with standard AlN buffer layers. To achieve good homogeneities, the growth was in-situ monitored by laser reflectometry. All GaN layers showed sharp excitonic peaks in cw PL and three excitonic contributions were seen by reflectivity. The recombination dynamics of excitons depends strongly upon the layer thickness. For the thinnest layer, exponential decays with τ ~ 35 ps have been measured for both XA and XB free excitons. For the thickest layer, the decay becomes biexponential with τ1 ~ 80 ps and τ2 ~ 250 ps. These values are preserved up to room temperature. By solving coupled rate equations in a four-level model, this evolution is interpreted in terms of the reduction of density of both shallow impurities and deep traps, versus layer thickness, roughly following a L−1 law.


1995 ◽  
Vol 30 (1) ◽  
pp. 53-60 ◽  
Author(s):  
Deng Nansheng ◽  
Tian Shizhong ◽  
Xia Mei

Abstract Tests for the photocatalytic degradation of solutions of three reactive dyes, Red M-5B, Procion Blue MX-R and Procion Black H-N, in the presence of H2O2 were carried out. When the solutions of the three reactive dyes were irradiated by UV or solar light, the colour of the solutions disappeared gradually. A statistical analysis of the test results indicated a linear relation between the concentration of dyes and the time of irradiation. The discolouration reaction of the solutions was of the first order. Rate equations for the discolouration reactions of dye solutions were developed. The dark reactions or the dye solutions containing H2O2 were very slow, illustrating that the photochemical reaction played a very important role. It was demonstrated that UV light and solar light (300 to 380 nm) photolyzes the HO and that the resulting OH radical reacts with the dye molecules and destroys the chromophore.


1993 ◽  
Vol 58 (7) ◽  
pp. 1476-1484
Author(s):  
Václav Dušek ◽  
František Skopal

For a chemical reactor with constant volume feed rate equations have been derived which describe the time dependences of concentration of the reaction components, and their approximation has been suggested. The applicability of the approximation has been verified on a model redox system Ce(IV)/V(IV) in sulfuric acid medium.


1988 ◽  
Vol 53 (12) ◽  
pp. 2995-3013
Author(s):  
Emerich Erdös ◽  
Jindřich Leitner ◽  
Petr Voňka ◽  
Josef Stejskal ◽  
Přemysl Klíma

For a quantitative description of the epitaxial growth rate of gallium arsenide, two models are proposed including two rate controlling steps, namely the diffusion of components in the gas phase and the surface reaction. In the models considered, the surface reaction involves a reaction triple - or quadruple centre. In both models three mechanisms are considered which differ one from the other by different adsorption - and impact interaction of reacting particles. In every of the six cases, the pertinent rate equations were derived, and the models have been confronted with the experimentally found dependences of the growth rate on partial pressures of components in the feed. The results are discussed with regard to the plausibility of individual mechanisms and of both models, and also with respect to their applicability and the direction of further investigations.


1980 ◽  
Vol 35 (10) ◽  
pp. 781-784 ◽  
Author(s):  
H.J. Kreuzer ◽  
D.N. Lowy ◽  
Z.W. Gortel

Entropy ◽  
2021 ◽  
Vol 23 (7) ◽  
pp. 810
Author(s):  
David Sands

The Carnot cycle and the attendant notions of reversibility and entropy are examined. It is shown how the modern view of these concepts still corresponds to the ideas Clausius laid down in the nineteenth century. As such, they reflect the outmoded idea, current at the time, that heat is motion. It is shown how this view of heat led Clausius to develop the entropy of a body based on the work that could be performed in a reversible process rather than the work that is actually performed in an irreversible process. In consequence, Clausius built into entropy a conflict with energy conservation, which is concerned with actual changes in energy. In this paper, reversibility and irreversibility are investigated by means of a macroscopic formulation of internal mechanisms of damping based on rate equations for the distribution of energy within a gas. It is shown that work processes involving a step change in external pressure, however small, are intrinsically irreversible. However, under idealised conditions of zero damping the gas inside a piston expands and traces out a trajectory through the space of equilibrium states. Therefore, the entropy change due to heat flow from the reservoir matches the entropy change of the equilibrium states. This trajectory can be traced out in reverse as the piston reverses direction, but if the external conditions are adjusted appropriately, the gas can be made to trace out a Carnot cycle in P-V space. The cycle is dynamic as opposed to quasi-static as the piston has kinetic energy equal in difference to the work performed internally and externally.


Nanophotonics ◽  
2020 ◽  
Vol 9 (13) ◽  
pp. 4149-4162 ◽  
Author(s):  
Bruno Romeira ◽  
José M. L. Figueiredo ◽  
Julien Javaloyes

AbstractEvent-activated biological-inspired subwavelength (sub-λ) photonic neural networks are of key importance for future energy-efficient and high-bandwidth artificial intelligence systems. However, a miniaturized light-emitting nanosource for spike-based operation of interest for neuromorphic optical computing is still lacking. In this work, we propose and theoretically analyze a novel nanoscale nanophotonic neuron circuit. It is formed by a quantum resonant tunneling (QRT) nanostructure monolithic integrated into a sub-λ metal-cavity nanolight-emitting diode (nanoLED). The resulting optical nanosource displays a negative differential conductance which controls the all-or-nothing optical spiking response of the nanoLED. Here we demonstrate efficient activation of the spiking response via high-speed nonlinear electrical modulation of the nanoLED. A model that combines the dynamical equations of the circuit which considers the nonlinear voltage-controlled current characteristic, and rate equations that takes into account the Purcell enhancement of the spontaneous emission, is used to provide a theoretical framework to investigate the optical spiking dynamic properties of the neuromorphic nanoLED. We show inhibitory- and excitatory-like optical spikes at multi-gigahertz speeds can be achieved upon receiving exceptionally low (sub-10 mV) synaptic-like electrical activation signals, lower than biological voltages of 100 mV, and with remarkably low energy consumption, in the range of 10–100 fJ per emitted spike. Importantly, the energy per spike is roughly constant and almost independent of the incoming modulating frequency signal, which is markedly different from conventional current modulation schemes. This method of spike generation in neuromorphic nanoLED devices paves the way for sub-λ incoherent neural elements for fast and efficient asynchronous neural computation in photonic spiking neural networks.


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