Computers & Chemical Engineering

Article	Citations
A decentralized control strategy for improved batch tablet coating process operation	155
Novel global optimization approach for the simultaneous design of heat exchangers in heat exchanger networks constrained by pressure drop	136
Taking advantage of order consolidation in simultaneous batching and scheduling of multiproduct batch plants	125
Computers and chemical engineering virtual special issue in honor of Professor George Stephanopoulos	124
Environmental impacts of optimal designs of community energy systems under different CO2 footprints of electric grids	98
Mathematical programming model for the optimal management of carbon intensity indicators in global supply chains	85
A modular-hierarchical framework for the pressure-driven simulation of heat exchanger dynamics	81
Solution of large-scale supply chain models using graph sampling & coarsening	75
Knowledge-based training of learning architectures under input sensitivity constraints for improved explainability	74
The economic study of centralised water reuse exchange system in the industrial park considering wastewater segregation	61
Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty	61
Closed-loop robust steady-state target calculation for model predictive control	58
A mathematical programming model for the optimal utilization of deep saline aquifers for CO2 storage	57
Random field optimization	57
Applying and dissecting LSTM neural networks and regularized learning for dynamic inferential modeling	56
Comparative assessment of chloride family hydrogen production cycles driven by a nuclear-geothermal energy system	56
Editorial Board	55
Anomaly detection for drug product manufacturing considering data limitations and shifts: A case study on industrial freeze-dryers	55
A robust deep reinforcement learning approach for the control of crystallization processes	54
The SABYDOMA Safety by Process Control framework for the production of functional, safe and sustainable nanomaterials	53
Optimal design of offshore wind power farm in high resolution using geographical information system	52
A stock border compensation technique for gaseous energy scheduling in steel enterprises under uncertainty	52
Simulation-based optimization of distillation processes using an extended cutting plane algorithm	51
Dynamic simulation and analysis of dichloromethane-acetone, dichloromethane-trichloromethane and dichloromethane-toluene VOC mixture abatement systems under transient feed conditions	49
Identification of noisy Koopman models	49

A novel time discretization method for solving complex multi-energy system design and operation problems with high penetration of renewable energy	48
Cyclic reinforcement learning for generalization enhancement on T/C imbalance scheduling in TFT-LCD cell manufacturing	48
Simultaneous real-time estimation of maximum substrate uptake capacity and yield coefficient in induced microbial cultures	47
COBALT: COnstrained Bayesian optimizAtion of computationaLly expensive grey-box models exploiting derivaTive information	47
Causal discovery in industrial systems via physics-guided variational attention and probabilistic interventions	46
An optimization-free Fisher information driven approach for online design of experiments	45
Behavioral strategies evolution of stakeholders for wastewater recycling in eco-industrial parks under financial constraints	45
A hybrid Kalman filter and physics-informed neural network approach for leakage detection and localization in heat exchanger networks	45
Physics Informed Piecewise Linear Neural Networks for Process Optimization	44
Optimizing spatial clustering for supply chain networks	44
Process plant layout optimization considering domino effects and safety devices in a large-scale chemical plant	43
Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks	43
Multiperiod refinery optimization for mitigating the impact of process unit shutdowns	43
A bilevel data-driven framework for robust optimization under uncertainty – applied to fluid catalytic cracking unit	42
Two-stage chance-constrained programming based on Gaussian mixture model and piecewise linear decision rule for refinery optimization	42
A Process Intensification synthesis framework for the design of dividing wall column systems	41
Sunlight harvesting	41
From text to meaning: Semantic interpretation of non-standardized metadata in piping and instrumentation diagrams	40
Hybrid modeling supported development of an industrial small-molecule flow chemistry process	40
A simulation-based model studying monoethanolamine and aprotic heterocyclic anion ionic liquid (AHA-IL) mixtures for carbon capture	39
Advancing precision fermentation: Minimizing power demand of industrial scale bioreactors through mechanistic modelling	39
Editorial Board	38
Corrigendum to “Data evaluation for wastewater treatment plants: Linear vs bilinear mass balances” [Computers and Chemical Engineering 195 (2025) 109012]	38
Process evaluation for the separation of acetonitrile-water using extractive distillation with deep eutectic solvents as entrainers	38
Graph-to-SFILES: Control structure prediction from process topologies using generative artificial intelligence	38
DoE-SINDy: an automated framework for model generation and selection in kinetic studies	37
Applications of machine learning in antibody discovery, process development, manufacturing and formulation: Current trends, challenges, and opportunities	37
A combined variational encoding and optimization framework for design of the water–energy–food nexus	37
Multi-objective dispatch of integrated renewable power systems leveraging robust optimization in deep reinforcement learning	37
Thermal imaging-based state estimation of a Stefan problem with application to cell thawing	35
Practical implementable controller design with guaranteed asymptotic stability for nonlinear systems	34
Highly accelerated kinetic Monte Carlo models for depolymerisation systems	34
Condition-based maintenance optimization for multi-equipment batch production system based on stochastic demand	34
Editorial Board	34
Optimal scheduling of a large-scale power-to-ammonia process: Effects of parameter optimization on the indirect demand response potential	33
Designing a resilient-sustainable integrated broiler supply chain network using multiple sourcing and backup facility strategies dealing with uncertainties in a disruptive network: A real case of a ch	33
Logic-Based Discrete-Steepest Descent: A solution method for process synthesis Generalized Disjunctive Programs	32
Optimal continuous administration of drugs exhibiting tolerance: A modeling study for linear one compartment pharmacokinetics	32
Investigation on modelling and identification of glucose management system for normal individual and diabetic patient	32
The development of a process simulator transport model for RO systems	31
Multi-time scale CCUS pipeline network optimization: modeling cost-effective emission reduction trajectories by multi-policy integration	31
A new solution strategy for multiparametric quadratic programming	31
A targeting algorithm for segregated heat integrated water allocation network	31
Simulation of a flexible multi-vessel extraction plant with counter-current contacting between a solid substrate and supercritical CO2	31
Multi-step lookahead Bayesian optimization with active learning using reinforcement learning and its application to data-driven batch-to-batch optimization	30
Multivariable robust tube-based nonlinear model predictive control of mammalian cell cultures	30
Data-driven strategies for extractive distillation unit optimization	30
Mass and energy balance-assisted data-driven modeling and optimization of batch processes: The case of a batch polymerization process	30
Real-time multivariate statistical monitoring of biopharmaceutical processes with no prior product-specific history	29
Process as a battery: Electricity price aware optimal operation of zeolite crystallization in a continuous oscillatory baffled reactor	29

Optimal artificial neural network architecture design for modeling an industrial ethylene oxide plant	29
Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems	29
A novel state-of-health notion and its use for battery aging monitoring of zinc-air batteries	28
Modeling phosphorous dynamics in a wastewater treatment process using Bayesian optimized LSTM	27
A multilayered approach to scale-up forced convection-based freezing of human induced pluripotent stem cells	27
Calculation of solid-vapor equilibria for cryogenic carbon capture	27
An ORP prediction model for acid wastewater sulfidation process based on improved extreme learning machine	27
Neural network models for atmospheric residue desulfurization using real plant data with novel training strategies	27
Production of methanol from renewable sources in Mexico: Supply chain optimization	27
Hierarchical heat transfer modeling of a continuous millireactor	26
Personalized medicine for GnRH antagonist protocol in in vitro fertilization procedure using modeling and optimal control	26
Dyn2Heat – MILP Heat Exchanger Network Design for Batch Processes via Dynamic Optimization	26
CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways	26
Simultaneous design of macroalgae-based integrated biorefineries and their heat exchanger network	26
Multiobjective temperature trajectory optimization for unseeded batch cooling crystallization of aspirin	26
Simulation tools for net-positive process design: Trees as unit operations for carbon sequestration and air quality regulation	26
ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant	26
A hybrid dynamic model for the prediction of molten iron and slag quality indices of a large-scale blast furnace	26
Bayesian optimization with search space movement for cooling crystallization process	26
Using large language models for solving textbook-style thermodynamic problems	25
State-space-guided neural networks for fault detection	25
Control of side-stream pressure-swing distillation and extractive distillation for separating azeotropic mixture of cyclohexane and acetone	25
A digital twin simulator of a pastillation process with applications to automatic control based on computer vision	25
Enhancing fault detection in multivariate industrial processes: Kolmogorov–Smirnov non-parametric statistical approach	25
Surrogate-based optimization of capture chromatography platforms for the improvement of computational efficiency	25
Technical-economic evaluation of an energy-integrated temperature swing adsorption process for compressed air drying	25
Harnessing graph neural networks to craft fragrances based on consumer feedback	25
A hybrid clustering approach integrating first-principles knowledge with data for fault detection in HVAC systems	25
Caffeine, riboflavin and curcumin amended clays for PFAS binding	25
Hierarchical matrix completion for the prediction of properties of binary mixtures	25
Data-driven supply chain monitoring using canonical variate analysis	24
Novel formulations of flexibility index and design centering for design space definition	24
Integration of chemical process operation with energy, global market, and plant systems infrastructure	24
Learning and optimization under epistemic uncertainty with Bayesian hybrid models	24
A dynamic model of tablet film coating processes for control system design	24
A novel multi-operation sequencing formulation for the crude oil scheduling problem with restricted overlapping constraints	24
Model predictive control of purple bacteria in raceway reactors: Handling microbial competition, disturbances, and performance	24
Operating condition design with a Bayesian optimization approach for pharmaceutical intermediate batch concentration	24
Data-driven and physics informed modeling of Chinese Hamster Ovary cell bioreactors	24
Robust machine learning modeling for predictive control using Lipschitz-Constrained Neural Networks	24
A reinforcement learning-based transformed inverse model strategy for nonlinear process control	24
Implementation of nonlinear variable-cost network optimization models for technology assessment in the petrochemicals industry	24
Demand response scheduling of copper production under short-term electricity price uncertainty	24
Multi-agent reinforcement learning-based exploration of optimal operation strategies of semi-batch reactors	23
Bilevel scheduling in downstream oil supply chain: Integrating reinforcement learning with mathematical programming	23
Physics-informed recurrent neural networks and hyper-parameter optimization for dynamic process systems	23
A MILP-based approach to address the production and distribution planning of large industrial gas supply chains	23
Deep learning adaptive Model Predictive Control of Fed-Batch Cultivations	23
Machine learning in process systems engineering: Challenges and opportunities	23
Piecewise linear approximation for MILP leveraging piecewise convexity to improve performance	23
Improved design of heat-pump extractive distillation based on the process optimization and multi-criteria sustainability analysis	23
An EM/ECME-based algorithm for simultaneous data reconciliation and gross error detection using t-distribution noise model in chemical industry	23
Techno-economic analysis of an integrated process for cyanobacteria-based nutrient recovery from livestock waste	23
Accelerating process synthesis with reinforcement learning: Transfer learning from multi-fidelity simulations and variational autoencoders	23
Reducing carbon emissions in cement production through solarization of the calcination process and thermochemical energy storage	22
A novel zone-based machine learning approach for the prediction of the performance of industrial flares	22
Quasi-Newton extremum seeking control based on incremental recursive identification	22
A successive substitution approach with embedded phase stability for simultaneous chemical and phase equilibrium calculations	22
A robust optimization model for tactical planning of the forest-based biomass supply chain for syngas production	22
An implicit function formulation for optimization of discretized index-1 differential algebraic systems	22
Editorial Board	22
Comparison of actor–critic reinforcement learning methods for adaptive cut selection for integer programming with applications to sensor network design	22
Learning from fluorescence: A tool for online multiparameter monitoring of a microalgae culture	21
A hybrid modelling approach to model process dynamics by the discovery of a system of partial differential equations	21
Combinatorial Order Pre-processing Search (COPS): A new pre-processing strategy for large-scale interpretable data analysis in process analytical technologies	21
Design space identification of a coupled two-stage batch reactor system	21
Synchronous optimization framework for the integrated hydrogen network and heat exchanging system: A decomposition optimization strategy of the system based on the structure generation method	21
Online detrended fluctuation analysis and improved empirical wavelet transform for real-time oscillations detection in industrial control loops	21
Integrating machine learning detection and encrypted control for enhanced cybersecurity of nonlinear processes	21
Comparative life cycle assessment of industrial demand-side management via operational optimization	21
High-Performance C++ and Julia solvers in CADET for weakly and strongly coupled continuous chromatography problems	21
Thermal runaway avoidance using Hamilton–Jacobi reachability and model predictive control	21
Designing a resilient medical laboratory service network under disruption and uncertainty: A case study	20
Resilience assessment of the downstream oil supply chain considering the inventory strategy in extreme weather events	20
Multi-source heterogeneous data integration for incident likelihood analysis	20
Robust-optimization-guiding deep reinforcement learning for chemical material production scheduling	20
Knowledge-enhanced data-driven modeling of wastewater treatment processes for energy consumption prediction	20
Graph neural networks for CO2	20
Identifying Key Drivers for a National Transition to Low Carbon Energy using Agent-based Supply Chain Models	20
Applications of augmented reality (AR) in chemical engineering education: Virtual laboratory work demonstration to digital twin development	20

Non-myopic Bayesian optimization using model-free reinforcement learning and its application to optimization in electrochemistry	20
Reduced-order Koopman modeling and predictive control of nonlinear processes	20
Decarbonizing ethanol production via gas fermentation: Impact of the CO/H2/CO2 mix source on greenhouse gas emissions and production costs	20
A numerical algorithm for maximal admissible set calculation and its application to fault-tolerant control of chemical reactors	19
Feature selection-based machine learning modeling for distributed model predictive control of nonlinear processes	19
Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis	19
Multi-objective optimization and algorithm improvement on thermal coupling of SOFC-GT-ORC integrated system	19
Incorporating Physical Constraints inside Neural Networks to Improve their Accuracy and Physical Reliability for Chemical Engineering Unit Operations Modeling	19
Constrained continuous-action reinforcement learning for supply chain inventory management	19
Integration of graph-based descriptors with machine learning algorithm for QSPR modeling of fluoroquinolones	19
Machine learning aided model predictive control with multi-objective optimization and multi-criteria decision making	19
Flexible networks to promote the development of industrial symbioses: A new optimization procedure	19
Computational fluid dynamics modeling of a discrete feed atomic layer deposition reactor: Application to reactor design and operation	19
Normalizing flow-based day-ahead wind power scenario generation for profitable and reliable delivery commitments by wind farm operators	19
Deterministic mathematical modeling, sensitivity analysis, and dynamic optimization of cross-flow ultrafiltration systems for concentration of monoclonal antibody solutions	18
Shift-based methodology for production planning in steel industry	18
Systematic design of pulse dosing to eradicate persister bacteria: The case of fluoroquinolones	18
Editorial Board	18
Modelling and analysis of resilience and reliability in pharmaceutical supply chains	18
Run-indexed time-varying Bayesian optimization with positional encoding for auto-tuning of controllers: Application to a plasma-assisted deposition process with run-to-run drifts	18
Dynamic simulation and control of dual-evaporator compression refrigeration systems	18
Modeling biogas production from anaerobic wastewater treatment plants using radial basis function networks and differential evolution	18
Direct single shooting for dynamic optimization of differential-algebraic equation systems with optimization criteria embedded	18
Scaling up machine learning-based chemical plant simulation: A method for fine-tuning a model to induce stable fixed points	18
Techno-economic analysis of a combined power plant CO2 capture and direct air capture concept for flexible power plant operation	18
Physics-guided transfer learning for Bayesian optimization of chemical port-Hamiltonian systems	18
Direct learning of improved control policies from historical plant data	18
Reinforcement learning approach to autonomous PID tuning	18
Simultaneous design of discrete-time inverse response predictor control systems	18
Integrating feature attribution and symbolic regression for automatic model structure identification and strategic sampling	18
Scheduling-based method for estimating remaining capacity of oil product pipeline under the fair opening	17
A novel data augmentation strategy for gas leak detection and segmentation using Mask R-CNN and bit plane slicing in chemical process environments	17
A CFD model-based design of seeding processes for two-dimensional mesenchymal stem cell cultivation	17
A virtual screening framework based on the binding site selectivity for small molecule drug discovery	17
Modeling and multi-criteria assessment of polyamine-based CO2 capture in rotating packed beds using artificial intelligence	17
Integreted strategic and tactical optimization planning of biomass to bioethanol supply chains coupled with operational plan using vehicle routing: A case study in Ethiopia	17
Uniting neural network-based control and model predictive control: Application to a large-scale nonlinear process	17
Dynamic optimization on quantum hardware: Feasibility for a process industry use case	17
Design of modular electrolysis and modular high-efficiency fuel cell systems for green hydrogen production and power generation with low emission of carbon dioxide	17
Model-based safe reinforcement learning for nonlinear systems under uncertainty with constraints tightening approach	17
Modeling of bioprocesses via MINLP-based symbolic regression of S-system formalisms	17
Nonlinear programming reformulation of dynamic flux balance analysis models	17
A multicut generalized benders decomposition approach for the integration of process operations and dynamic optimization for continuous systems	17
A dynamic-inner convolutional autoencoder for process monitoring	17
Process design for plastic waste pyrolysis: Yield analysis and economic assessment	17
Offline reinforcement learning based feeding strategy of ethylene cracking furnace	16
Digital twins in process engineering: An overview on computational and numerical methods	16
Refinery planning optimization based on smart predict-then-optimize method under exogenous price uncertainty	16
Integrating stochastic programming and reliability in the optimal synthesis of chemical processes	16
Pharmaceutical capacity expansion under uncertainty: Framework and models	16
Editorial Board	16
Physics-informed neural networks for extrapolating press washer unit operations with heuristic physical knowledge and scarce data	16
Predictive precision in battery recycling: unveiling lithium battery recycling potential through machine learning	16
Physics-based Penalization for Hyperparameter Estimation in Gaussian Process Regression	16
A two-stage expert-guided reinforcement learning controller training strategy for large time-delay systems	16
Distributing Chemical Reactions between Cell Populations: Exemplar Studies	16
Editorial Board	16
Hypothetical yet effective: Computational identification of high-performing MOFs for CO2 capture	16
Optimization approaches to design water-energy-food nexus: A litterature review	16
Gas dispersion modeling in stereoscopic space with obstacles using a novel spatiotemporal prediction network	16
Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling	16
Hyperplane decision trees as piecewise linear surrogate models for chemical process design	16
Coordination strategy based on hard-heuristics and price-updating scheme for copper smelting process	16
CrystalGPT: Enhancing system-to-system transferability in crystallization prediction and control using time-series-transformers	16
Tracking model predictive control and moving horizon estimation design of distributed parameter pipeline systems	15
Editorial Board	15
PC-Gym: Benchmark environments for process control problems	15
Simultaneous design of microbe and bioreactor	15
Sample-efficient reinforcement learning of Koopman eNMPC	15
Enhancing the time-to-positivity paradigm for guidance of antimicrobial therapy: A model-based approach	15
Assessment of Lagrangean decomposition for short-term planning of integrated refinery-petrochemical operations	15
Pricing and remunerating electricity storage flexibility using virtual links	15
Hybrid quantum-classical multi-cut Benders approach with a power system application	15
Editorial Board	15
Editorial Board	15
Data augmentation for forecasting industrial aging processes via conditional multimodal generative time-series models	15
An ontology for the design of emulsion-based cosmetic products: Development and applications	15
Corrigendum to ’Data-driven crude oil scheduling optimization with a distributionally robust joint chance constraint under multiple uncertainties’ [Computers and Chemical Engineering 171 (2023) 108156	15
A Generalized Framework for Reactor Network Synthesis: A Graph Theoretic Approach	15
A practical scenario generation method for electricity prices on day-ahead and intraday spot markets	15
Event constrained programming	15
Superstructure optimization models for regional coal industry development considering water resources constraints—A case study of Ordos, China	15
Globally optimal distillation column design using set trimming and enumeration techniques	14
Development of machine learning based model for low-temperature PEM fuel cells	14
A workflow management system for reproducible and interoperable high-throughput self-driving experiments	14
Flexibility and environmental assessment of process-intensified design solutions: A DWC case study	14
Optimal scheduling for simultaneous refinery manufacturing and multi oil-product pipeline distribution	14
The traveling deliveryman problem under uncertainty: Fundamentals for flexible supply chains	14
A practical Reinforcement Learning implementation approach for continuous process control	14
A tray-by-tray method for the conceptual design of dividing wall columns	14
Developing operational resilience within CO2 utilisation networks: Towards ensuring business continuity through risk management	14
A new approach for reliability modeling in green closed-loop supply chain design under post-pandemic conditions: A case study	14
A novel framework for the identification of complex feasible space	14
Quantifying space-time load shifting flexibility in electricity markets	14
Improved prediction of biomass gasification models through machine learning	14