Catalystsencompassing

Catalystsencompassing is a concept in catalysis studies describing an approach that treats catalysts as components of larger chemical systems rather than as isolated agents. The term, a portmanteau of catalyst and encompassing, refers to a holistic framework in which catalyst performance is evaluated in the context of the full process, including reaction networks, reactor design, separation and purification, energy use, and material lifecycles. Proponents argue that catalystsencompassing supports more robust process intensification by aligning catalyst selection with process objectives such as selectivity, productivity, sustainability, and cost.

In practice, catalystsencompassing involves mapping reaction networks to identify where a single catalyst can enable multiple steps (tandem catalysis) or where compatible catalysts can be combined in cascade sequences. It also considers deactivation pathways across a process, catalyst regeneration options, and integration with downstream separations. The approach emphasizes compatibility of solvents, co-catalysts, and reagents, and it seeks to minimize waste and energy requirements.

Methodologies used include process modeling, kinetic and mechanistic studies, computer-aided design, and multicriteria optimization, often supported by data science and machine learning to predict system-wide performance. Experimental validation typically occurs at pilot scale with an emphasis on recyclability and lifetime analysis.

Applications span fine and bulk chemical production, petrochemical processing, biomass conversion, and electrochemical energy devices, where catalysts must operate under complex conditions and cooperate with other unit operations.

Critiques note that the concept is broad and not yet standardized, potentially complicating research agendas or misaligning incentives if not carefully scoped. Proponents respond that a structured, system-level view can drive more sustainable and economical outcomes.