Model reaction engineering

M. Luoma, P. Lappi, and R. Lylykangas, Evaluation of High Cell Density E-Flow Catalyst, SAE 930940, Society of Automotive Engineers, Warrendale, Pa., 1993. Good reference for mass-transfer limited model reactions. 

Dente and Ranzi (in Albright et al., eds.. Pyrolysis Theory and Industrial Practice, Academic Press, 1983, pp. 133-175) Mathematical modehng of hydrocarbon pyrolysis reactions Shah and Sharma (in Carberry and Varma, eds.. Chemical Reaction and Reaction Engineering Handbook, Dekker, 1987, pp. 713-721) Hydroxylamine phosphate manufacture in a slurry reactor Some aspects of a kinetic model of methanol synthesis are described in the first example, which is followed by a second example that describes coping with the multiphcity of reactants and reactions of some petroleum conversion processes. Then two somewhat simph-fied industrial examples are worked out in detail mild thermal cracking and production of styrene. Even these calculations are impractical without a computer. The basic data and mathematics and some of the results are presented. 

Baldyga and Bourne (1999) present a comprehensive overview and comparison of macromixing models available in the literature for use in chemical reaction engineering. 

Figure 8.31 Network of compartments in the Imbhle column reaction engineering model after Rigopoulos and Jones, 2001)...

The reaction engineering model links the penetration theory to a population balance that includes particle formation and growth with the aim of predicting the average particle size. The model was then applied to the precipitation of CaC03 via CO2 absorption into Ca(OH)2aq in a draft tube bubble column and draws insight into the phenomena underlying the crystal size evolution. 

Baldyga, J. and Bourne, J.R., 1984c. A fluid mechanical approach to turbulent mixing and chemical reaction. Part III Computational and experimental results for the new micromixing model. Chemical Engineering Communications, 28, 259-281. 

Franck, R., David, R., Villenuaux, J. and Klein, J.P., 1988. Crystallization and precipitation engineering - II. A chemical reaction engineering approach to salicylic acid precipitation Modelling of batch kinetics and application to continuous operation. Chemical Engineering Science, 43, 69-11. 

Villermaux, J. and Devillon, J.C., 1975. Representation de la coalescence et de la redispersion des domains de segregation dans un fluide par un modele d interaction phenomenologique. In Proceedings of the second international conference of chemical reaction engineering. Amsterdam, pp. Bl-13. 

A more general model of gas-liquid-particle processes than those that have so far appeared in the literature would, it seems, be of considerable interest as a basis for comparing the reaction-engineering properties of the several types of gas-liquid-particle operations, and as a means for analyzing operations with finite liquid flow (for example, trickle-flow operation and gas-liquid fluidization). 

In section 11.3 we saw how a classical reaction engineering approach45 can been used to model both electrochemical promotion and metal support interactions. The analysis shows that the magnitude of the effect depends on three dimensionless numbers, II, J and Op (Table 11.3) which dictate the actual value of the promotional effectiveness factor. 

As discussed in Chapter 7, this form can provide a good fit of the data if the reaction is not too close to equilibrium. However, most reaction engineers prefer a mechanistically based rate expression. This section describes how to obtain plausible functional forms for based on simple models of the surface reactions and on the observation that aU the rates in Steps 2 through 8 must be equal at steady state. Thus, the rate of transfer across the film resistance equals the rate of diffusion into a pore equals the rate of adsorption equals the rate of reaction equals the rate of desorption, and so on. This rate is the pseudohomo-geneous rate shown in Steps 1 and 9. 

The time that a molecule spends in a reactive system will affect its probability of reacting and the measurement, interpretation, and modeling of residence time distributions are important aspects of chemical reaction engineering. Part of the inspiration for residence time theory came from the black box analysis techniques used by electrical engineers to study circuits. These are stimulus-response or input-output methods where a system is disturbed and its response to the disturbance is measured. The measured response, when properly interpreted, is used to predict the response of the system to other inputs. For residence time measurements, an inert tracer is injected at the inlet to the reactor, and the tracer concentration is measured at the outlet. The injection is carried out in a standardized way to allow easy interpretation of the results, which can then be used to make predictions. Predictions include the dynamic response of the system to arbitrary tracer inputs. More important, however, are the predictions of the steady-state yield of reactions in continuous-flow systems. All this can be done without opening the black box. 

The reactions are still most often carried out in batch and semi-batch reactors, which implies that time-dependent, dynamic models are required to obtain a realistic description of the process. Diffusion and reaction in porous catalyst layers play a central role. The ultimate goal of the modehng based on the principles of chemical reaction engineering is the intensification of the process by maximizing the yields and selectivities of the desired products and optimizing the conditions for mass transfer. 

Modeling, Simulation and Control of Chemical Reaction Systems Nano Materials Synthesis and Application Novel Reactors and Processes Polymer Reaction Engineering... 

E. James Davis, Microchemical Engineering The Physics and Chemistry of the Microparticle Selim M, Senkan, Detailed Chemical Kinetic Modeling Chemical Reaction Engineering of the Future... 

For applications in the field of micro reaction engineering, the conclusion may be drawn that the Navier-Stokes equation and other continuum models are valid in many cases, as Knudsen numbers greater than 10 are rarely obtained. However, it might be necessary to use slip boimdaty conditions. The first theoretical investigations on slip flow of gases were carried out in the 19th century by Maxwell and von Smoluchowski. The basic concept relies on a so-called slip length L, which relates the local shear strain to the relative flow velocity at the wall ... 

Figure 4.58 Interphase mass-transfer coefficient obtained for a reaction engineering model [94. Reactor model...

Pentene oxidation over TS-1 catalyst is a fast reaction and hence fulfils a basic requirement for being suited to micro-channel processing [30]. Thus, it can serve as a model reaction to demonstrate the benefits of micro chemical engineering, particularly for zeolite-catalyzed reactions. Apart from this, epoxidations are an important class of organic reactions, also of industrial importance. 

Dunn, I. J., Heinzle, E. Ingham, J. and Prenosil, J. E. (1992) Biological Reaction Engineering Principles, Applications and Modelling with PC Simulation, VCH. 

Effluent response curves for perfect impulse injection of tracer (axial dispersion model). (Adapted from Chemical Reaction Engineering, Second Edition, by O. Levenspiel. Copyright 1972. Reprinted by permission of John Wiley and Sons, Inc.)... 

Up to now only limited kinetic data and thus rate models (and even mechanistic details) of aqueous phase operation are available. Thus, in many cases only estimates and experimentally found data are at the disposal for reaction engineers work (e.g.[25]). The state of the art of the hydroformylation of higher alkenes (>C -) comprises additions of supplementary solvents/diluents or extraction fluids, surface-active agents (detergents), intensity and mode of stirring ([22b], power of agitation (cf. Figure 5.5) operation in... 

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