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RESEARCH PAPER · Computers & Chemical Engineering · 2024

Digital twins in process engineering: An overview on computational and numerical methods

Luisa Peterson, Ion Victor Gosea, Peter Benner, Kai Sundmacher

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Digital twins in process engineering: An overview on computational and numerical methodsOriginalDigital Twins of smart energy systems: a systematic literature review on enablers, design, management and computational challenges108Digital Twins and Neural Networks: A Powerful Toolkit for Developing Fretting Fatigue‐Resistant Materials4An optimization-centric review on integrating artificial intelligence and digital twin technologies in manufacturing68A Comprehensive Review of AI-Based Digital Twin Applications in Manufacturing: Integration Across Operator, Product, and Process Dimensions93The Potential Use of Digital Twin Technology for Advancing CAR-T Cell Therapy32Toward Digital Twins for Power-to-X Processes: Comparing Surrogate Models for a Catalytic CO 2 Methanation Reactor5Efficient process optimization for a circular economy by full flowsheet neural networks6Digital twins for accurate prediction beyond routine operation8Unveiling Probability Histograms from Random Signals using a Variable-Order Quadrature Method of Moments0Simplest mechanism builder algorithm (simba): an automated microkinetic model discovery tool0Cost-scaling of large Power-to-Methanol plants supplied with wind power and CO2 from direct air capture: A Chile case study4GLOBAL MARKET FOR ARTIFICIAL INTELLIGENCE IN THE CHEMICAL INDUSTRY0Physics-informed neural networks for extrapolating press washer unit operations with heuristic physical knowledge and scarce data5A hierarchical and role-driven digital twin system with applications to complex chemical process operation1Several Issues and Suggestions Regarding the Future Intrinsically Safe Chemical Industrial Park: Insights from Severe Hazardous Chemical Accident Analysis and Industrial Park Field Investigations2Model predictive control of industrial steam system with digital twin and load forecasting4Life prediction of NC machine tools based on DT technology and LSTM technology0A Reconciled Phase-Aware Digital Twin with Constrained Receding-Horizon Optimization for Fed-Batch Penicillin Fermentation0A Unified Approach to Constructing the Mathematical Core of Digital Twins for Systems of Diverse Physical and Chemical Nature0Control theory in the era of intelligent systems: Applications, trends, and future directions2Data-Driven Digital Twins of Dynamic Chemical Processes via Liquid Neural Networks0Data-driven reduced-order model for optimal control of dynamically operated reactors in Power-to-X processes0Developing multi-field sparse reconstruction digital twins: A study in ammonia combustor0DP-Twin: A Data–Physics-Driven Method for Modeling Physical Twins of Industrial Cyber-Physical Systems3Modeling of industrial multiphase reactors5Efficient acoustic finite element simulation and optimization through inverse matrix prediction by neural network: Learning-based estimation of inverse system matrix0Large language models and AI-driven virtual laboratory for FrED and FrED factory: materials, products, and sustainable digital manufacturing0An integrated modeling framework to determine robust operational regions in pharmaceutical water-for-injection distribution loops0Towards real-time digital twins of combustion systems via soft-clustered local reduced-order models0Artificial Intelligence in Lubricant Research—Advances in Monitoring and Predictive Maintenance4Generative AI as an Enabler for Process Intensification3Adaptive physics-informed neural network-based digital twins integrated with Ensemble Kalman Filter6Hybrid models, digital twins, and digital shadows for sustainable membrane technologies: A critical review12AI in chemical engineering: From promise to practice4Opportunities of digital twin in controlling and monitoring microbial processes in food fermentation3How AI is revolutionizing the chemical engineering landscape0Acidification as a produced water treatment for WSO removal – A review1Optimization in Chemical Engineering: A Systematic Review of Its Evolution, State of the Art, and Emerging Trends2Machine Learning Based Soft Sensing for Real Time Monitoring of Crude Oil Distillation Products0Computer Numerical Control Machining Process Simulation in Brownfield Environments: Digital Twin, Artificial Intelligence Optimisation, and Implementation Roadmap1Sustainability assessment and optimization of a toluene hydrodealkylation process using surrogate models2Intelligent process systems engineering (iPSE) in the era of artificial intelligence and process electrification0A General Framework for Model Recognition in Chemical Reactor Systems Using Artificial Neural Networks Classifiers0A Hybrid Data-Driven Approach for the Optimization of an Industrial Alkylation Unit0Multi-scale computations of reactive multiphase flows: Towards digital twins for energy transition0A hybrid physics–data digital twin for industrial batch melt crystallization0From Observability to Intervention in Purification: A Critical Framework for Digital Twins, Chemometrics, and Control Across Membranes, Adsorption, and Chromatography0From electrode activity to reactive zone control: 3D electrochemical remediation of chlorinated hydrocarbon contaminated groundwater1AI-ML innovations in membrane technology: current progress and future prospects3Multifunctional solar interfacial evaporation systems: interfacial mechanisms, material design, and coupled water-energy processes0Human-in-the-loop validation of a decision-support interface for blast furnace operation0Application of a systematic transfer workflow for robust model identification in wine fermentation across scales0Acyl-homoserine lactone-guided microalgal biotechnology: from metabolic reprogramming to process engineering0Artificial intelligence for heat integration in the process industry: From engineering design to AI-assisted lifecycle decision support0Development and experimental validation of a predictive resilient framework for cyber‐physical systems0From Simulation to Reality: A Comprehensive Review of Data Assimilation in Reservoir Engineering0

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  1. Digital Twins of smart energy systems: a systematic literature review on enablers, design, management and computational challenges

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  2. Digital Twins and Neural Networks: A Powerful Toolkit for Developing Fretting Fatigue‐Resistant Materials

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  3. An optimization-centric review on integrating artificial intelligence and digital twin technologies in manufacturing

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  4. A Comprehensive Review of AI-Based Digital Twin Applications in Manufacturing: Integration Across Operator, Product, and Process Dimensions

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  5. The Potential Use of Digital Twin Technology for Advancing CAR-T Cell Therapy

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  6. Toward Digital Twins for Power-to-X Processes: Comparing Surrogate Models for a Catalytic CO 2 Methanation Reactor

    IEEE Transactions on Automation Science and Engineering · 2025-04-30

    Luisa Peterson, Ali Forootani, Edgar Iván Sánchez Medina, Ion Victor Gosea, Kai Sundmacher, Peter Benner

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  7. Efficient process optimization for a circular economy by full flowsheet neural networks

    Chemical Engineering Science · 2025-05-03

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  8. Digital twins for accurate prediction beyond routine operation

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    Bryan Li, Isaac Severinsen, Wei Yu, Timothy Gordon Walmsley, Brent Richmond Young

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  9. Unveiling Probability Histograms from Random Signals using a Variable-Order Quadrature Method of Moments

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  10. Simplest mechanism builder algorithm (simba): an automated microkinetic model discovery tool

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  11. Cost-scaling of large Power-to-Methanol plants supplied with wind power and CO2 from direct air capture: A Chile case study

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  12. GLOBAL MARKET FOR ARTIFICIAL INTELLIGENCE IN THE CHEMICAL INDUSTRY

    Proceedings of the Shevchenko Scientific Society Series Сhemical sciences · 2025-09-26

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  13. Physics-informed neural networks for extrapolating press washer unit operations with heuristic physical knowledge and scarce data

    Computers & Chemical Engineering · 2025-10-09

    Bryan Li, Isaac Severinsen, Timothy Gordon Walmsley, Wei Yu, Brent Richmond Young

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  14. A hierarchical and role-driven digital twin system with applications to complex chemical process operation

    Chinese Journal of Chemical Engineering · 2025-10-30

    Xinyu Tao, Runjie Yao, Lingyu Zhu, Changrui Xie, Muqian Zhang, Xi Chen

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  15. Several Issues and Suggestions Regarding the Future Intrinsically Safe Chemical Industrial Park: Insights from Severe Hazardous Chemical Accident Analysis and Industrial Park Field Investigations

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    Sen Li, Chen Zhao, Lijing Zhang

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  16. Model predictive control of industrial steam system with digital twin and load forecasting

    Applied Thermal Engineering · 2025-12-17

    Bowen Yang, Haipeng Shou, Baoqi Wang, Haoyu Wang, Le Liu, Chaoyang Guo, Tianle Peng, Lianfang Cao, Zhaohui Liu

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  17. Life prediction of NC machine tools based on DT technology and LSTM technology

    Frontiers in Mechanical Engineering · 2025-12-18

    Jiwu Wang

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  18. A Reconciled Phase-Aware Digital Twin with Constrained Receding-Horizon Optimization for Fed-Batch Penicillin Fermentation

    SSRN Electronic Journal · 2026-01-01

    Suchandan Banerjee, Sandip Lahiri

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  19. A Unified Approach to Constructing the Mathematical Core of Digital Twins for Systems of Diverse Physical and Chemical Nature

    IEEE Access · 2026-01-01

    Alexey A. Druzhinin

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  20. Control theory in the era of intelligent systems: Applications, trends, and future directions

    Annual Reviews in Control · 2026-01-01

    Maria Trigka, Elias Dritsas

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  21. Data-Driven Digital Twins of Dynamic Chemical Processes via Liquid Neural Networks

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    ANTONIO FLORES-TLACUAHUAC, Andrea Silva-Beard, Alejandro Montesinos‐Castellanos, Rubén Morales-Menéndez

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  22. Data-driven reduced-order model for optimal control of dynamically operated reactors in Power-to-X processes

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  23. Developing multi-field sparse reconstruction digital twins: A study in ammonia combustor

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  24. DP-Twin: A Data–Physics-Driven Method for Modeling Physical Twins of Industrial Cyber-Physical Systems

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  25. Modeling of industrial multiphase reactors

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  26. Efficient acoustic finite element simulation and optimization through inverse matrix prediction by neural network: Learning-based estimation of inverse system matrix

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  27. Large language models and AI-driven virtual laboratory for FrED and FrED factory: materials, products, and sustainable digital manufacturing

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  28. An integrated modeling framework to determine robust operational regions in pharmaceutical water-for-injection distribution loops

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  29. Towards real-time digital twins of combustion systems via soft-clustered local reduced-order models

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  35. Opportunities of digital twin in controlling and monitoring microbial processes in food fermentation

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  36. How AI is revolutionizing the chemical engineering landscape

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  37. Acidification as a produced water treatment for WSO removal – A review

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  38. Optimization in Chemical Engineering: A Systematic Review of Its Evolution, State of the Art, and Emerging Trends

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  39. Machine Learning Based Soft Sensing for Real Time Monitoring of Crude Oil Distillation Products

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  40. Computer Numerical Control Machining Process Simulation in Brownfield Environments: Digital Twin, Artificial Intelligence Optimisation, and Implementation Roadmap

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  41. Sustainability assessment and optimization of a toluene hydrodealkylation process using surrogate models

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  42. Intelligent process systems engineering (iPSE) in the era of artificial intelligence and process electrification

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  43. A General Framework for Model Recognition in Chemical Reactor Systems Using Artificial Neural Networks Classifiers

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  44. A Hybrid Data-Driven Approach for the Optimization of an Industrial Alkylation Unit

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  45. Multi-scale computations of reactive multiphase flows: Towards digital twins for energy transition

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  47. From Observability to Intervention in Purification: A Critical Framework for Digital Twins, Chemometrics, and Control Across Membranes, Adsorption, and Chromatography

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  48. From electrode activity to reactive zone control: 3D electrochemical remediation of chlorinated hydrocarbon contaminated groundwater

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  50. Multifunctional solar interfacial evaporation systems: interfacial mechanisms, material design, and coupled water-energy processes

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