Detailed Modeling of Transport-Kinetics Interactions of Ethylene Epoxidation at High Vacuum and Atmospheric Pressures

Svoboda, G. D.; Gleaves, John; Mills, Patrick L.

doi:10.1016/s0167-2991(08)63441-2

Cited by 11 publications

(7 citation statements)

References 28 publications

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“…In the previous work on the simulation of processes in the TAP reactor the correct choice of initial and boundary conditions was discussed. Both Gleaves and co-workers [Gleaves et al (1988), Svoboda et al (1993)] and Zou et al (1993) reported that a function for the flux should be used as initial condition at x ) 0 and t ) 0.…”

Section: Methods Of Modelingmentioning

confidence: 99%

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Modeling and Simulation of Transient Adsorption and Reaction in Vacuum Using the Temporal Analysis of Products Reactor

Rothaemel

Baerns

1996

Ind. Eng. Chem. Res.

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For determining rate constants of catalytic processes (adsorption, desorption, and reaction) from the evaluation of transient experiments in vacuum applying the temporal-analysis-of-products (TAP) reactor, suitable models were developed taking into account the gas-phase transport of the molecules and the surface processes. On the basis of simulation results, it is shown that by applying the TAP technique absolute values for rate constants of adsorption and desorption can be derived within a “window” of their order of magnitudes. It is shown that different types of adsorption (Langmuir, Temkin, Freundlich, and dissociative) result in different simulated response signals. Models were developed accounting for reactions including the simulation of experiments with sequential pulsing of two gases in order to study the reaction of adsorbed and gaseous species. The specific position of the catalyst between two inert layers in the TAP reactor has to be considered because it influences the response in the case of adsorption/desorption processes and results in a partial back-diffusion of a reaction product to the reactor inlet thus enhancing consecutive reactions.

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Section: Methods Of Modelingmentioning

confidence: 99%

“…Also results on modeling the TAP reactor have been published [Gleaves et al (1988), Svoboda et al (1992), Svoboda et al (1993), Zou et al (1993), Zou et al (1994), Greten et al (1995), Huinink (1995)]. Zou et al (1994) presented model equations that also included adsorption and desorption terms; however, no detailed results were shown.…”

Section: Introductionmentioning

confidence: 99%

Modeling and Simulation of Transient Adsorption and Reaction in Vacuum Using the Temporal Analysis of Products Reactor

Rothaemel

Baerns

1996

Ind. Eng. Chem. Res.

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show abstract

“…Two different approaches have been used. One is based on solving the partial differential equations by a Laplace transformation and then calculating the exit flow by a numerical Fast Fourier Transform algorithm [58,59,29,30]. This approach is only possible for linear equations (first order kinetics and low surface coverages).…”

Section: Sticking Coefficientmentioning

confidence: 99%

“…These models are usually validated by fitting inert gas curves and/or give simulations results. A number of studies deal with the modeling of the kinetics based on TAP data [29][30][31][32][33][34][35][36] or with the diffusion of molecules in microporous materials such as zeolites or carbons [67][68][69]. The latter models have been extended to biporous materials including first order reaction within the micropores [70,71].…”

Section: Sticking Coefficientmentioning

confidence: 99%