Computers & Chemical Engineering

Article	Citations
A decentralized control strategy for improved batch tablet coating process operation	141
Novel global optimization approach for the simultaneous design of heat exchangers in heat exchanger networks constrained by pressure drop	140
An optimization-free Fisher information driven approach for online design of experiments	121
Optimizing spatial clustering for supply chain networks	117
A hybrid Kalman filter and physics-informed neural network approach for leakage detection and localization in heat exchanger networks	115
Taking advantage of order consolidation in simultaneous batching and scheduling of multiproduct batch plants	89
Computers and chemical engineering virtual special issue in honor of Professor George Stephanopoulos	82
Environmental impacts of optimal designs of community energy systems under different CO2 footprints of electric grids	71
Sunlight harvesting	70
Mathematical programming model for the optimal management of carbon intensity indicators in global supply chains	67
A modular-hierarchical framework for the pressure-driven simulation of heat exchanger dynamics	59
Solution of large-scale supply chain models using graph sampling & coarsening	58
Physics Informed Piecewise Linear Neural Networks for Process Optimization	54
Applying and dissecting LSTM neural networks and regularized learning for dynamic inferential modeling	53
Process plant layout optimization considering domino effects and safety devices in a large-scale chemical plant	52
The economic study of centralised water reuse exchange system in the industrial park considering wastewater segregation	51
Comparative assessment of chloride family hydrogen production cycles driven by a nuclear-geothermal energy system	51
Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks	51
Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty	51
Random field optimization	50
Closed-loop robust steady-state target calculation for model predictive control	49
Editorial Board	48
Anomaly detection for drug product manufacturing considering data limitations and shifts: A case study on industrial freeze-dryers	48
A computationally efficient formulation of the governing equations for unit operation design	48
A robust deep reinforcement learning approach for the control of crystallization processes	48

Dynamic simulation and analysis of dichloromethane-acetone, dichloromethane-trichloromethane and dichloromethane-toluene VOC mixture abatement systems under transient feed conditions	47
The SABYDOMA Safety by Process Control framework for the production of functional, safe and sustainable nanomaterials	47
Two-stage chance-constrained programming based on Gaussian mixture model and piecewise linear decision rule for refinery optimization	46
A novel time discretization method for solving complex multi-energy system design and operation problems with high penetration of renewable energy	45
A stock border compensation technique for gaseous energy scheduling in steel enterprises under uncertainty	45
Simulation-based optimization of distillation processes using an extended cutting plane algorithm	44
COBALT: COnstrained Bayesian optimizAtion of computationaLly expensive grey-box models exploiting derivaTive information	44
Optimal design of offshore wind power farm in high resolution using geographical information system	44
Simultaneous real-time estimation of maximum substrate uptake capacity and yield coefficient in induced microbial cultures	44
Constrained model-free reinforcement learning for process optimization	43
Hybrid modeling supported development of an industrial small-molecule flow chemistry process	43
A simulation-based model studying monoethanolamine and aprotic heterocyclic anion ionic liquid (AHA-IL) mixtures for carbon capture	41
Multiperiod refinery optimization for mitigating the impact of process unit shutdowns	41
Process evaluation for the separation of acetonitrile-water using extractive distillation with deep eutectic solvents as entrainers	41
Advancing precision fermentation: Minimizing power demand of industrial scale bioreactors through mechanistic modelling	41
Optimal continuous administration of drugs exhibiting tolerance: A modeling study for linear one compartment pharmacokinetics	40
Condition-based maintenance optimization for multi-equipment batch production system based on stochastic demand	40
Editorial Board	40
Graph-to-SFILES: Control structure prediction from process topologies using generative artificial intelligence	40
A bilevel data-driven framework for robust optimization under uncertainty – applied to fluid catalytic cracking unit	40
A Process Intensification synthesis framework for the design of dividing wall column systems	40
Corrigendum to “Data evaluation for wastewater treatment plants: Linear vs bilinear mass balances” [Computers and Chemical Engineering 195 (2025) 109012]	39
Highly accelerated kinetic Monte Carlo models for depolymerisation systems	38
Optimal scheduling of a large-scale power-to-ammonia process: Effects of parameter optimization on the indirect demand response potential	38
Editorial Board	38
Logic-Based Discrete-Steepest Descent: A solution method for process synthesis Generalized Disjunctive Programs	38
DoE-SINDy: an automated framework for model generation and selection in kinetic studies	38
Simulation of a flexible multi-vessel extraction plant with counter-current contacting between a solid substrate and supercritical CO2	37
An ORP prediction model for acid wastewater sulfidation process based on improved extreme learning machine	37
Investigation on modelling and identification of glucose management system for normal individual and diabetic patient	37
A review of recent development in numerical simulation of ultrasonic-assisted gas-liquid mass transfer process	37
Multivariable robust tube-based nonlinear model predictive control of mammalian cell cultures	36
Physiologically-based pharmacokinetic model for predicting blood and tissue tetrahydrocannabinol concentrations	35
Population balance modeling of flotation pulp: The route from process frequency functions to spatially distributed models	35
Personalized medicine for GnRH antagonist protocol in in vitro fertilization procedure using modeling and optimal control	35
Operability and biomimetic control of a micro-aerated fermentation process	34
Neural network models for atmospheric residue desulfurization using real plant data with novel training strategies	33
A new solution strategy for multiparametric quadratic programming	33
The development of a process simulator transport model for RO systems	33
A targeting algorithm for segregated heat integrated water allocation network	32
Production of methanol from renewable sources in Mexico: Supply chain optimization	31
Practical implementable controller design with guaranteed asymptotic stability for nonlinear systems	31
Calculation of solid-vapor equilibria for cryogenic carbon capture	31
Mass and energy balance-assisted data-driven modeling and optimization of batch processes: The case of a batch polymerization process	31
Data-driven strategies for extractive distillation unit optimization	30
Optimal artificial neural network architecture design for modeling an industrial ethylene oxide plant	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
Multi-time scale CCUS pipeline network optimization: modeling cost-effective emission reduction trajectories by multi-policy integration	29
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	29

Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems	29
Robust control of fed-batch high-cell density cultures: a simulation-based assessment	29
Thermal imaging-based state estimation of a Stefan problem with application to cell thawing	29
Multiobjective temperature trajectory optimization for unseeded batch cooling crystallization of aspirin	29
A multilayered approach to scale-up forced convection-based freezing of human induced pluripotent stem cells	29
A novel state-of-health notion and its use for battery aging monitoring of zinc-air batteries	28
A hybrid dynamic model for the prediction of molten iron and slag quality indices of a large-scale blast furnace	28
Simultaneous design of macroalgae-based integrated biorefineries and their heat exchanger network	28
Applications of machine learning in antibody discovery, process development, manufacturing and formulation: Current trends, challenges, and opportunities	28
Modeling and optimization of ionic liquid-based carbon capture process using a thin-film unit	28
A novel multi-operation sequencing formulation for the crude oil scheduling problem with restricted overlapping constraints	27
A combined variational encoding and optimization framework for design of the water–energy–food nexus	27
A dynamic model of tablet film coating processes for control system design	27
Accelerating process synthesis with reinforcement learning: Transfer learning from multi-fidelity simulations and variational autoencoders	27
Multi-objective dispatch of integrated renewable power systems leveraging robust optimization in deep reinforcement learning	27
Modeling phosphorous dynamics in a wastewater treatment process using Bayesian optimized LSTM	27
Demand response scheduling of copper production under short-term electricity price uncertainty	27
Multi-step lookahead Bayesian optimization with active learning using reinforcement learning and its application to data-driven batch-to-batch optimization	27
Operating condition design with a Bayesian optimization approach for pharmaceutical intermediate batch concentration	27
Coordinated allocation production routing problem for mobile supply chains with shared factories	26
Improved design of heat-pump extractive distillation based on the process optimization and multi-criteria sustainability analysis	26
Novel formulations of flexibility index and design centering for design space definition	26
A hybrid kernel-based nonparametric system identification approach for multiphase batch processes	26
Crude oil price prediction: A comparison between AdaBoost-LSTM and AdaBoost-GRU for improving forecasting performance	26
Enhancing fault detection in multivariate industrial processes: Kolmogorov–Smirnov non-parametric statistical approach	26
A reinforcement learning-based transformed inverse model strategy for nonlinear process control	25
Integration of chemical process operation with energy, global market, and plant systems infrastructure	25
ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant	25
Dyn2Heat – MILP Heat Exchanger Network Design for Batch Processes via Dynamic Optimization	25
A successive substitution approach with embedded phase stability for simultaneous chemical and phase equilibrium calculations	25
An EM/ECME-based algorithm for simultaneous data reconciliation and gross error detection using t-distribution noise model in chemical industry	24
Implementation of nonlinear variable-cost network optimization models for technology assessment in the petrochemicals industry	24
CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways	24
Simulation tools for net-positive process design: Trees as unit operations for carbon sequestration and air quality regulation	24
Caffeine, riboflavin and curcumin amended clays for PFAS binding	24
Hierarchical matrix completion for the prediction of properties of binary mixtures	24
Piecewise linear approximation for MILP leveraging piecewise convexity to improve performance	24
Model predictive control of purple bacteria in raceway reactors: Handling microbial competition, disturbances, and performance	24
A digital twin simulator of a pastillation process with applications to automatic control based on computer vision	24
Data-driven supply chain monitoring using canonical variate analysis	24
Hierarchical heat transfer modeling of a continuous millireactor	24
Data-driven and physics informed modeling of Chinese Hamster Ovary cell bioreactors	23
Model-based reinforcement learning and predictive control for two-stage optimal control of fed-batch bioreactor	23
Surrogate-based optimization of capture chromatography platforms for the improvement of computational efficiency	23
Control of side-stream pressure-swing distillation and extractive distillation for separating azeotropic mixture of cyclohexane and acetone	23
Learning and optimization under epistemic uncertainty with Bayesian hybrid models	23
Technical-economic evaluation of an energy-integrated temperature swing adsorption process for compressed air drying	23
State-space-guided neural networks for fault detection	23
Harnessing graph neural networks to craft fragrances based on consumer feedback	23
Multi-agent reinforcement learning-based exploration of optimal operation strategies of semi-batch reactors	23
A graph theoretic representation and analysis of zeolite frameworks	23
A MILP-based approach to address the production and distribution planning of large industrial gas supply chains	23
A hybrid clustering approach integrating first-principles knowledge with data for fault detection in HVAC systems	23
Robust machine learning modeling for predictive control using Lipschitz-Constrained Neural Networks	23
Techno-economic analysis of an integrated process for cyanobacteria-based nutrient recovery from livestock waste	23
Reducing carbon emissions in cement production through solarization of the calcination process and thermochemical energy storage	22
A numerical algorithm for maximal admissible set calculation and its application to fault-tolerant control of chemical reactors	22
High-Performance C++ and Julia solvers in CADET for weakly and strongly coupled continuous chromatography problems	22
Multi-objective optimization and algorithm improvement on thermal coupling of SOFC-GT-ORC integrated system	22
Machine learning in process systems engineering: Challenges and opportunities	22
Editorial Board	22
Comparative life cycle assessment of industrial demand-side management via operational optimization	22
Integrating machine learning detection and encrypted control for enhanced cybersecurity of nonlinear processes	22
Physics-informed recurrent neural networks and hyper-parameter optimization for dynamic process systems	22
Non-myopic Bayesian optimization using model-free reinforcement learning and its application to optimization in electrochemistry	22
Knowledge-enhanced data-driven modeling of wastewater treatment processes for energy consumption prediction	22
Combinatorial Order Pre-processing Search (COPS): A new pre-processing strategy for large-scale interpretable data analysis in process analytical technologies	22
A novel zone-based machine learning approach for the prediction of the performance of industrial flares	22
Learning from fluorescence: A tool for online multiparameter monitoring of a microalgae culture	21
Incorporating Physical Constraints inside Neural Networks to Improve their Accuracy and Physical Reliability for Chemical Engineering Unit Operations Modeling	21
Thermal runaway avoidance using Hamilton–Jacobi reachability and model predictive control	21
Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis	21
Normalizing flow-based day-ahead wind power scenario generation for profitable and reliable delivery commitments by wind farm operators	21
Feature selection-based machine learning modeling for distributed model predictive control of nonlinear processes	21
Graph neural networks for CO2	21
Designing a resilient medical laboratory service network under disruption and uncertainty: A case study	21
Multi-source heterogeneous data integration for incident likelihood analysis	21
Robust-optimization-guiding deep reinforcement learning for chemical material production scheduling	21
Decarbonizing ethanol production via gas fermentation: Impact of the CO/H2/CO2 mix source on greenhouse gas emissions and production costs	21
A robust optimization model for tactical planning of the forest-based biomass supply chain for syngas production	20

Identifying Key Drivers for a National Transition to Low Carbon Energy using Agent-based Supply Chain Models	20
Online detrended fluctuation analysis and improved empirical wavelet transform for real-time oscillations detection in industrial control loops	20
Resilience assessment of the downstream oil supply chain considering the inventory strategy in extreme weather events	20
An implicit function formulation for optimization of discretized index-1 differential algebraic systems	20
Design space identification of a coupled two-stage batch reactor system	20
Reduced-order Koopman modeling and predictive control of nonlinear processes	20
Machine learning aided model predictive control with multi-objective optimization and multi-criteria decision making	20
Quasi-Newton extremum seeking control based on incremental recursive identification	20
Reinforcement learning approach to autonomous PID tuning	20
Flexible networks to promote the development of industrial symbioses: A new optimization procedure	19
Constrained continuous-action reinforcement learning for supply chain inventory management	19
Integreted strategic and tactical optimization planning of biomass to bioethanol supply chains coupled with operational plan using vehicle routing: A case study in Ethiopia	19
Gas dispersion modeling in stereoscopic space with obstacles using a novel spatiotemporal prediction network	19
Applications of augmented reality (AR) in chemical engineering education: Virtual laboratory work demonstration to digital twin development	19
Modeling biogas production from anaerobic wastewater treatment plants using radial basis function networks and differential evolution	19
Direct single shooting for dynamic optimization of differential-algebraic equation systems with optimization criteria embedded	19
Techno-economic analysis of a combined power plant CO2 capture and direct air capture concept for flexible power plant operation	19
Computational fluid dynamics modeling of a discrete feed atomic layer deposition reactor: Application to reactor design and operation	19
A hybrid modelling approach to model process dynamics by the discovery of a system of partial differential equations	19
Systematic design of pulse dosing to eradicate persister bacteria: The case of fluoroquinolones	19
Simultaneous design of discrete-time inverse response predictor control systems	19
Integrating feature attribution and symbolic regression for automatic model structure identification and strategic sampling	18
Model-based safe reinforcement learning for nonlinear systems under uncertainty with constraints tightening approach	18
Editorial Board	18
Shift-based methodology for production planning in steel industry	18
Digital twins in process engineering: An overview on computational and numerical methods	18
Process design for plastic waste pyrolysis: Yield analysis and economic assessment	18
CrystalGPT: Enhancing system-to-system transferability in crystallization prediction and control using time-series-transformers	18
Direct learning of improved control policies from historical plant data	18
Nonlinear programming reformulation of dynamic flux balance analysis models	18
Design of modular electrolysis and modular high-efficiency fuel cell systems for green hydrogen production and power generation with low emission of carbon dioxide	18
Dynamic simulation and control of dual-evaporator compression refrigeration systems	18
Decarbonization of the electrical sector: A new model for the environmental assessment of global copper cathode and aluminum ingot supply chains	18
C2 and C+ compound production from carbon dioxide: supply chain design and optimization	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
A dynamic-inner convolutional autoencoder for process monitoring	18
A Nested Schur decomposition approach for multiperiod optimization of chemical processes	18
Scaling up machine learning-based chemical plant simulation: A method for fine-tuning a model to induce stable fixed points	18
Dynamic optimization on quantum hardware: Feasibility for a process industry use case	18
Scheduling-based method for estimating remaining capacity of oil product pipeline under the fair opening	18
Modelling and analysis of resilience and reliability in pharmaceutical supply chains	18
Integrating stochastic programming and reliability in the optimal synthesis of chemical processes	18
Predictive precision in battery recycling: unveiling lithium battery recycling potential through machine learning	17
Offline reinforcement learning based feeding strategy of ethylene cracking furnace	17
A CFD model-based design of seeding processes for two-dimensional mesenchymal stem cell cultivation	17
Optimization approaches to design water-energy-food nexus: A litterature review	17
Hypothetical yet effective: Computational identification of high-performing MOFs for CO2 capture	17
Optimized CFD modelling and validation of radiation section of an industrial top-fired steam methane reforming furnace	17
Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling	17
Refinery planning optimization based on smart predict-then-optimize method under exogenous price uncertainty	17
A tray-by-tray method for the conceptual design of dividing wall columns	17
Modeling of bioprocesses via MINLP-based symbolic regression of S-system formalisms	17
A virtual screening framework based on the binding site selectivity for small molecule drug discovery	17
Physics-based Penalization for Hyperparameter Estimation in Gaussian Process Regression	17
A multicut generalized benders decomposition approach for the integration of process operations and dynamic optimization for continuous systems	17
Deterministic mathematical modeling, sensitivity analysis, and dynamic optimization of cross-flow ultrafiltration systems for concentration of monoclonal antibody solutions	17
Hyperplane decision trees as piecewise linear surrogate models for chemical process design	16
Distributing Chemical Reactions between Cell Populations: Exemplar Studies	16
Improved prediction of biomass gasification models through machine learning	16
A practical scenario generation method for electricity prices on day-ahead and intraday spot markets	16
Quantifying space-time load shifting flexibility in electricity markets	16
Coordination strategy based on hard-heuristics and price-updating scheme for copper smelting process	16
Algebraic surrogate-based flexibility analysis of process units with complicating process constraints	16
Globally optimal distillation column design using set trimming and enumeration techniques	16
A novel framework for the identification of complex feasible space	16
Development of machine learning based model for low-temperature PEM fuel cells	16
Sample-efficient reinforcement learning of Koopman eNMPC	16
Pharmaceutical capacity expansion under uncertainty: Framework and models	16
A two-stage expert-guided reinforcement learning controller training strategy for large time-delay systems	16
Dynamic Optimization of Water Management in Aquatic–Agricultural Systems for Net-Zero Carbon	16
Modeling and multi-objective optimization of the digestion tank of an industrial process for manufacturing phosphoric acid by wet process	16
A practical Reinforcement Learning implementation approach for continuous process control	15
Event constrained programming	15
An ontology for the design of emulsion-based cosmetic products: Development and applications	15
From partial data to out-of-sample parameter and observation estimation with diffusion maps and geometric harmonics	15
Developing operational resilience within CO2 utilisation networks: Towards ensuring business continuity through risk management	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
Superstructure optimization models for regional coal industry development considering water resources constraints—A case study of Ordos, China	15
Editorial Board	15
Editorial Board	15
Data augmentation for forecasting industrial aging processes via conditional multimodal generative time-series models	15
A workflow management system for reproducible and interoperable high-throughput self-driving experiments	15
Pricing and remunerating electricity storage flexibility using virtual links	15
Tracking model predictive control and moving horizon estimation design of distributed parameter pipeline systems	15
The traveling deliveryman problem under uncertainty: Fundamentals for flexible supply chains	15
Editorial Board	15
Assessment of Lagrangean decomposition for short-term planning of integrated refinery-petrochemical operations	15
Editorial Board	15
Editorial Board	15
Multi-criteria decision-making framework for selection of surfactant-free microemulsion fuels as a sustainable diesel alternative	14
Integrating quantum and classical computing for multi-energy system optimization using Benders decomposition	14
Cost-optimal pathways towards net-zero chemicals and plastics based on a circular carbon economy	14
Modeling and simulation of a steam-selective membrane reactor for power-to-methanol	14
A multi-parametric approach for bi-level optimization within the energy–water nexus	14
Enhancing data quality in wastewater processes: Missing data imputation with deep Variational Autoencoders and genetic algorithms	14