R. Ranjitham,
A. Ajitha,
S. Ravichandran,
- Professor, Department of Chemistry, Tagore Institute of Engineering and Technology, Deviyakurichi, Salem, Tamil Nadu, India
- Assistant Profssor, Department of Physics, Tagore Institute of Engineering and Technology, Deviyakurichi, Salem, Tamil Nadu, India
- Professor, Department of Chemistry, Tagore Institute of Engineering and Technology, Deviyakurichi, Salem, Tamil Nadu, India
Abstract
The transition toward sustainable chemical manufacturing requires catalytic technologies capable of maximizing resource efficiency, minimizing greenhouse gas emissions, and enabling the utilization of renewable feedstocks. Recent advances in computational catalysis, process technology, and biocatalytic transformations have created opportunities for the development of integrated catalytic platforms spanning molecular, reactor, and process scales. Density functional theory (DFT), machine learning-assisted catalyst discovery, and multiscale modeling have accelerated the rational design of heterogeneous, homogeneous, and enzymatic catalysts. Simultaneously, process intensification strategies, including hydro processing, methanol-to-olefins technologies, biomass valorization, and CO₂ utilization processes, have improved industrial sustainability metrics. Biocatalytic systems based on enzyme immobilization, nano biocatalysts, and multi-enzymatic cascades provide environmentally benign alternatives for selective chemical synthesis. This review discusses recent developments in computational catalyst design, industrial catalytic process technologies, and advanced biotransformation, highlighting opportunities for integration across disciplines. Future directions include hybrid chemo-enzymatic systems, AI-guided catalyst discovery, digital twins, and circular carbon technologies for net-zero chemical manufacturing.
Keywords: Computational catalysis, DFT, Machine learning, Hydro processing, CO₂ utilization, Biomass conversion, Biocatalysis, Process intensification, Sustainable chemistry
[This article belongs to Journal of Catalyst & Catalysis ]
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Journal of Catalyst & Catalysis
| Volume | 13 | |
| Issue | 02 | |
| Received | 12/06/2026 | |
| Accepted | 16/06/2026 | |
| Published | 30/06/2026 | |
| Publication Time | 18 Days |