Integrating water electrolysis with the hydroformylation of olefins

In this study, we used Aspen Plus to model and simulate the hydroformylation of propene and octene, drawing on kinetic data from literature to accurately capture the reaction dynamics. To create a sustainable process, we integrated hydroformylation with custom-designed electrolyzers for water electrolysis, supplying renewable hydrogen at flow rates of 1.7 kmol/hr for the hydroformylation processes of propene and 1.08 kmol/hr for that of octene octene. For propene, the model achieved a high conversion of 99.8% at 70°C and 8 bar, with high selectivity reflected by a linear/branched ratio of 1.77:1, demonstrating strong efficiency under these optimized conditions. For octene, we reached an 85% conversion and a 2.35:1 linear-to-branched aldehyde ratio at ambient conditions (25°C and 1 bar), achieving substantial energy savings compared to conventional processes requiring higher pressures and temperatures. The results were validated by comparison with existing studies, confirming the accuracy and consistency of the model. To explore future integration with electrochemical CO₂ reduction, we also injected CO₂ as a feed to simulate the effect of dilution on the reaction system, assessing its impact on conversion and selectivity. Sensitivity analysis was further conducted, varying temperature and pressure to optimize conversion and regioselectivity, maximizing the yield of linear aldehydes. The integration of custom-designed electrolyzers with hydroformylation in Aspen Plus demonstrated the feasibility of a fully renewable-driven process, delivering a comprehensive and efficient production setup. Looking forward, we aim to implement electrochemical CO₂ reduction to produce CO directly from CO₂, advancing the model toward a closed-loop, carbon-neutral hydroformylation system.