English

Toward a Unified Theory of Catalysis

Chemical Physics 2025-05-05 v1

Abstract

Catalysis lies at the heart of chemical reactivity, yet its foundational principles remain fragmented across the distinct domains of homogeneous, heterogeneous, and enzymatic systems Here, we propose a unifying theoretical model that integrates spatial and temporal dimensions into a single framework, offering a cohesive understanding of catalytic activity across diverse materials and conditions. This model builds upon established kinetic theories, incorporating local site density distributions, time-dependent modulations, and intrinsic reaction rates to deliver a comprehensive description of catalytic performance. By applying this approach, we demonstrate how seemingly disparate catalytic processes, from molecular complexes and single-atom catalysts to complex enzyme systems, can be interpreted through shared physical and chemical principles.

Keywords

Cite

@article{arxiv.2505.01213,
  title  = {Toward a Unified Theory of Catalysis},
  author = {Frank Nelson Crespilho},
  journal= {arXiv preprint arXiv:2505.01213},
  year   = {2025}
}