Advancing chemical engineering technology with artificial intelligence

Развитие технологий химической инженерии с помощью искусственного интеллекта
Jun Jiang, Chao Ding, Xin Gui
2025-07-04

artificial intelligencechemical engineeringdigital twinsretrosynthetic analysisstructure–property relationship modeling
Abstract Artificial intelligence is fundamentally transforming chemical engineering by redefining how materials are discovered, processes are optimized, and innovations are deployed at scale. This review provides a unique perspective on artificial intelligence’s role as a catalyst for chemical engineering’s evolution, emphasizing its ability to synergize computational intelligence with experimental workflows. Key contributions include artificial intelligence-enabled breakthroughs in structure–property relationship modeling, retrosynthetic analysis, and computational chemistry for rapid material optimization, followed by artificial intelligence’s impact on industrial translation through smart process control, digital twins, and automated laboratories, which facilitates seamless scaling from laboratory innovation to industrial production. Specific applications in energy, catalysis, batteries, and water treatment demonstrate artificial intelligence’s potential to address critical global challenges. By critically evaluating limitations and offering a roadmap for future advancements, this review highlights artificial intelligence not just as a tool but as a transformative force driving a more adaptive, intelligent, and sustainable chemical engineering paradigm.
1
AI advances structure–property relationship modeling, retrosynthetic analysis, and computational chemistry, enabling faster material optimization.
2
Applications in energy, catalysis, batteries, and water treatment demonstrate AI’s potential to address major global challenges.
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Artificial intelligence is reshaping chemical engineering by integrating computational intelligence with experimental workflows for discovery, optimization, and scale-up.
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Smart process control, digital twins, and automated laboratories support translation from laboratory innovations to industrial production.
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The review identifies current limitations and proposes a roadmap toward more adaptive, intelligent, and sustainable chemical engineering.

chemical engineering materials, processes, and industrial production systems

the applications and transformative impact of artificial intelligence on material discovery, process optimization, scale-up, and sustainable chemical engineering

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2025-07-04
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Jun Jiang
Chao Ding
Xin Gui
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