Optimal Reactor Design via Flux Profile Analysis for an Integrated Hydroformylation Process

Abstract

Different operational modes, various scales and complex phenomena make the design of a chemical process a challenging task. Besides conducting basic lab experiments and deriving fundamental kinetic and thermodynamic models, a crucial task within the entire process design is the synthesis of an optimal reactornetwork constituting the core of a chemical process. However, instead of directly up-scaling the process to large devices, it is wise to investigate process characteristics on miniplant-scale. For an existing miniplant for the hydroformylation of 1-dodecene using a rhodium catalyst and a thermomorphic solvent system for catalyst recovery, two optimized reactor designs are derived. Suitable reactor-networks were synthesized by applying the Flux Profile Analysis approach introduced in Kaiser et al. (2017). The combination of a first reactor with dynamic/distributed control options and a subsequent backmixed CSTR arose to be the most promising configurations. The technical design under miniplant conditions were carried out for two possible realizations of this network, namely (i) a continuous flow reactor and (ii) a periodically operated semibatch reactor, both followed by the existing CSTR which was originally operated in the miniplant. An optimization of the two optimal reactor configurations within an overall process including a Page 1 of 53 ACS Paragon Plus Environment Industrial & Engineering Chemistry Research liquid-liquid phase separation for catalyst recovery and a distillation column for separating the solvents and reactant evinced a selectivity w.r.t. the linear aldehyde around 94 % and a conversion around 98 %. This is a large improvement of the process performance of 24 % linear aldehyde selectivity and 40 % conversion when using the existing CSTR.

A comprehensive review of flow chemistry techniques tailored to the flavours and fragrances industries

“…Sundmacher and co-workers developed a miniplant setup for the continuous hydroformylation of 1-dodecene ( 656 ) in a thermomorphic multiphase system ( Scheme 152 ) [ 561 ].…”

Overview of Surrogate Modeling in Chemical Process Engineering

“…Kaiser et al. then used this same model for optimal reactor design in a similar process. Nentwich and Engell also considered the optimization of a hydroformylation of 1‐dodecene process but used ANN surrogates to describe both the gas solubility in the reactor and the liquid‐liquid equilibrium in a downstream decanter.…”

“…To avoid calculating the liquid-liquid equilibrium during the optimization of a process for the hydroformylation of 1-dodecene, McBride et al [60] replaced the decanter in the flow sheet with a kriging surrogate. Kaiser et al [61] then used this same model for optimal reactor design in a similar process. Nentwich and Engell [62] also considered the optimization of a hydroformylation of 1-dodecene process but used ANN surrogates to describe both the gas solubility in the reactor and the liquid-liquid equilibrium in a downstream decanter.…”

Experimental characterization of mixing and flow field in the liquid plugs of gas–liquid flow in a helically coiled reactor

“…In this process, synthesis gas (CO and H 2 ) is added in the presence of a catalyst to the alkene bond of long-chain olefins. Kaiser et al (2017) proposed a semi-batch reaction network for this reaction including a continuously working helically coiled tubular reactor. This was the motivation of for further studies concerning this subject (e.g.…”