The increasing complexity of chemical process operations necessitates more intelligent monitoring and control systems. This study presents an integrated framework that combines hybrid Digital Twin (DT) models with AI-based Fault Detection and Diagnosis (FDD) for real-time anomaly detection and process optimization. The proposed architecture leverages residuals from DT predictions as inputs to machine learning models, enhancing fault detection accuracy and reducing operational inefficiencies. The methodology adopts a multi-layer industrial architecture, incorporating ISA-95 and O-PAS principles for interoperability. DT models integrate first-principles physics with machine learning for predictive accuracy, while AI models such as CNN-LSTM hybrids and autoencoders detect anomalies based on residual patterns. Validation was conducted using synthetic and benchmark datasets, including the Tennessee Eastman Process. Results demonstrate that the integrated DT–AI system significantly outperforms traditional methods, with detection delay reduced by over 50%, false alarm rates cut by two-thirds, and energy intensity decreased by 13%. Additional benefits include improved product quality, reduced off-spec production, and enhanced operator response. The study concludes that combining DT and AI technologies within a standards-compliant framework enhances predictive capabilities, operational safety, and sustainability. This integration offers a scalable solution for modernizing brownfield chemical plants and advancing toward Industry 4.0.
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