Problem/issue being addressed: Thanks to ever-increasing computational resources and continuous improvement of numerical algorithms and modeling, computer simulations are becoming critical tools in chemical engineering research and industrial applications. Advances in manufacturing techniques, such as 3D printing and CNC milling, allow the fabrication of novel, complex reactor geometries that were previously impossible. However, exploiting these advances for reactor design and optimization remains challenging.
The reactor is central to any chemical process, impacting plant efficiency, complexity, and sustainability. Ideally, reactors would achieve near-complete conversion and perfect selectivity, but real-world processes are limited by catalyst deactivation, heat and mass transfer inefficiencies, equilibrium constraints, and process control challenges.
The OPTIMA project innovated in reactor and catalyst technologies to address the urgent need for more sustainable, efficient, low-emission production of light olefins—key building blocks in the chemical industry, and direct air capture.
Importance for society: The traditional production of olefins (e.g. via steam cracking of fossil-based hydrocarbons) is extremely energy-intensive and a major source of CO2 and NOx emissions. By improving efficiency, reducing emissions, and capturing CO2, OPTIMA directly contributes to climate change mitigation, cleaner air, and decarbonizing industrial processes, supporting the EU Green Deal.
Overall objectives: The OPTIMA project addressed these barriers by developing and validating an in silico multiscale modeling framework, integrating experimental, computational, and manufacturing advances to design next-generation reactors. OPTIMA was set initially to focus on two industrially and socially critical applications:
• Olefin production through steam cracking, and
• Methane valorization via Oxidative Coupling of Methane (OCM).
The project progressed beyond these two processes and expanded the innovations to:
• Steam cracking of pyrolysis oil
• Ex-situ and in-situ catalytic plastic waste pyrolysis, and
• Direct air capture
Ultimately, the project aimed to:
• Intensify olefin production processes (steam cracking and OCM) through advanced reactor and catalyst design.
• Develop new technologies for chemical recycling of plastics and CO2 capture.
• Create open-access computational tools for modeling and optimization.
• Demonstrate the feasibility of electrified, modular, and energy-efficient reactors for sustainable industrial deployment.
Conclusions of the action: OPTIMA achieved its objectives by delivering high-impact innovations such as the STARVOC reactor and VORTEX-AVI, new OCM and plastic pyrolysis catalysts, the CatchyCFDEM open-source simulation tool, and the VORTEX-AVI reactor concept for modular CO2 capture. These breakthroughs have strengthened Europe's industrial innovation potential, accelerated green chemical manufacturing, and laid the foundation for future commercialization through follow-up projects: ERC PoC AVATAR and e-CRACKER .
