Enhanced Photocatalytic Electrocyclization of Unsaturated Monomers via Dynamic Microreactor Networks and AI-Driven Process Optimization

**Abstract:** This paper introduces a novel approach to photocatalytic electrocyclization (PEC) reactions, a crucial tool in organic synthesis, by integrating dynamic microreactor networks with an AI-driven process optimization framework. Existing PEC methodologies often suffer from limitations in scalability, reaction efficiency, and product selectivity. Our approach leverages a network of configurable microreactors orchestrated by a reinforcement learning (RL) agent to dynamically adjust reaction parameters – light intensity, electrolyte composition, applied potential, and residence time – achieving significant improvements in reaction yield and selectivity, while enabling continuous flow operation. This framework demonstrates a 1.5x increase in yield and a 30% improvement in selectivity for the cyclization of 1,3-butadiene compared to traditional batch methods. The technology is poised for immediate industrial application in the production of cyclic organic compounds, a key building block for pharmaceuticals and advanced materials.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-09-22
DOI
https://doi.org/10.5281/zenodo.17173296
Primary Topic
Cryptographic Implementations and Security
Type
article
Field-Weighted Citation Impact
0.00
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article

Enhanced Photocatalytic Electrocyclization of Unsaturated Monomers via Dynamic Microreactor Networks and AI-Driven Process Optimization

Zenodo (CERN European Organization for Nuclear Research)
Cryptographic Implementations and Security
article

Enhanced Photocatalytic Electrocyclization of Unsaturated Monomers via Dynamic Microreactor Networks and AI-Driven Process Optimization

article en

Abstract

**Abstract:** This paper introduces a novel approach to photocatalytic electrocyclization (PEC) reactions, a crucial tool in organic synthesis, by integrating dynamic microreactor networks with an AI-driven process optimization framework. Existing PEC methodologies often suffer from limitations in scalability, reaction efficiency, and product selectivity. Our approach leverages a network of configurable microreactors orchestrated by a reinforcement learning (RL) agent to dynamically adjust reaction parameters – light intensity, electrolyte composition, applied potential, and residence time – achieving significant improvements in reaction yield and selectivity, while enabling continuous flow operation. This framework demonstrates a 1.5x increase in yield and a 30% improvement in selectivity for the cyclization of 1,3-butadiene compared to traditional batch methods. The technology is poised for immediate industrial application in the production of cyclic organic compounds, a key building block for pharmaceuticals and advanced materials.

Zenodo (CERN European Organization for Nuclear Research)
Freed–Hardeman University (US)
Openalex Percentile: Top 31%
Cryptographic Implementations and Security
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