Abstract
The achievement of new economically viable chemical processes often involves the translation of observed lab-scale phenomena into performance in an industrial reactor. In this work, the in silico design and optimization of an industrial ethanol dehydration reactor were performed, employing a multiscale model ranging from nano-, over micro-, to macroscale. The intrinsic kinetics of the elementary steps was quantified through ab initio obtained rate and equilibrium coefficients. Heat and mass transfer limitations for the industrial design case were assessed via literature correlations. The industrial reactor model developed indicated that it is not beneficial to utilize feeds with high ethanol content, as they result in lower ethanol conversion and ethene yield. Furthermore, a more pronounced temperature drop over the reactor was simulated. It is preferred to use a more H2O-diluted feed for the operation of an industrial ethanol dehydration reactor.
Highlights
Since their initial discovery in the late 1970s, the conversion processes of oxygenates have been gaining importance rapidly as an alternative route for the production of fuels and chemicals [1,2,3].Most industrial focus has been given to the conversion of methanol to hydrocarbons, with products ranging from light olefins to gasoline
Ρs is the solid density of the catalyst, Ci is the concentration of the gas phase component i inside the catalyst pellet, ξ is the position coordinate within the pellet, s is the pellet shape factor, i.e., 0, 1 or 2 for, respectively, a slab, a cylinder, and a sphere, Ri is the net rate of formation of component i, and De,i is the effective diffusion coefficient for gas phase component i (m2 s−1 )
According to the results described in patent US 2013/0090510 [6], an ethanol conversion amounting to 0.71 was observed, with a corresponding ethene yield of 0.69 in the first reactor
Summary
Since their initial discovery in the late 1970s, the conversion processes of oxygenates have been gaining importance rapidly as an alternative route for the production of fuels and chemicals [1,2,3]. Most industrial focus has been given to the conversion of methanol to hydrocarbons, with products ranging from light olefins to gasoline Both fixed and fluidized bed reactors are in use in the industry. In contrast to the MTO reaction, ethanol dehydration is an endothermic process typically operated in a multitubular, isothermal reactor at temperatures exceeding 623 K. Such a reactor configuration, which employs indirect heating via a heating fluid, has disadvantages in both its technical and its economic aspects, resulting in a shift towards adiabatic fixed bed reactors [4]. A multi-bed adiabatic reactor model was developed for the dehydration of ethanol on H-ZSM-5 with Si/Al ratio 140 and acid site concentration of 0.003 mol kg−1. The benefits of accurate reaction and reactor model are illustrated by exploration of the water content effect
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