Abstract

Structuring of different types of catalytic active centers at a single-pellet level appears to be a promising and powerful tool for integration and intensification of multistep solid-catalyzed chemical reactions. However, the enhancement in the product yield and selectivity strongly depends on the proper choice of the distribution of different catalysts within the pellet. To demonstrate potential benefits from properly designed catalyst pellet, numerical studies were conducted with the aid of the mathematical model of a single spherical bifunctional catalyst pellet. The analysis was performed both for a system of two generic chemical reactions and for a real process, i.e., direct synthesis of dimethyl ether (DME) from synthesis gas via methanol. Evaluation of the pellet performance was done for three arrangements of the catalytic active sites within the pellet, i.e., a uniform distribution of two types of catalytic active centers in the entire volume of the pellet, and two core–shell structures. It was demonstrated that, especially for the larger pellets typical for fixed-bed applications, the product yield might be significantly improved by selecting proper catalyst arrangements within the pellet.

Highlights

  • Multi- or bifunctional catalyst pellets, referred to as hybrid pellets, enable integration of more than one functionality in a microscale (Figure 1)

  • The multifunctionality at a pellet level usually consists of the integration of catalytic active sites and adsorbent or two types of catalytic active sites in a single pellet [1,2]

  • Similar benefits may be obtained for multistep solid-catalyzed chemical reactions that require utilization of different types of catalysts [4]

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Summary

Introduction

Multi- or bifunctional catalyst pellets, referred to as hybrid pellets, enable integration of more than one functionality in a microscale (Figure 1). A physical mixture of catalyst and adsorbent particles, bringing the process integration at the entire apparatus level, implements the synergy between chemical reaction and physical adsorption. Similar benefits may be obtained for multistep solid-catalyzed chemical reactions that require utilization of different types of catalysts [4]. In both cases, the enhancement in the product yield, in comparison to the processes carried out in multifunctional reactors integrating different types of functionalities at the apparatus level (Figure 1) or even carried out in two separate devices, results mainly from the reduction of mass transfer resistances

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