Computers & Chemical Engineering

Article	Citations
A computationally efficient formulation of the governing equations for unit operation design	195
Closed-loop robust steady-state target calculation for model predictive control	130
A decentralized control strategy for improved batch tablet coating process operation	121
Process plant layout optimization considering domino effects and safety devices in a large-scale chemical plant	102
Computers and chemical engineering virtual special issue in honor of Professor George Stephanopoulos	102
A MINLP approach to improve heat transfer in flat plates through the optimal distribution of nanoparticles	100
Editorial Board	80
Dynamic simulation and analysis of dichloromethane-acetone, dichloromethane-trichloromethane and dichloromethane-toluene VOC mixture abatement systems under transient feed conditions	70
Hybrid modeling supported development of an industrial small-molecule flow chemistry process	59
Process evaluation for the separation of acetonitrile-water using extractive distillation with deep eutectic solvents as entrainers	59
COBALT: COnstrained Bayesian optimizAtion of computationaLly expensive grey-box models exploiting derivaTive information	58
Random field optimization	52
A bilevel data-driven framework for robust optimization under uncertainty – applied to fluid catalytic cracking unit	51
The economic study of centralised water reuse exchange system in the industrial park considering wastewater segregation	50
Anomaly detection for drug product manufacturing considering data limitations and shifts: A case study on industrial freeze-dryers	50
Sunlight harvesting	48
Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks	48
A modular-hierarchical framework for the pressure-driven simulation of heat exchanger dynamics	47
Mathematical programming model for the optimal management of carbon intensity indicators in global supply chains	47
Optimal design of offshore wind power farm in high resolution using geographical information system	47
A Process Intensification synthesis framework for the design of dividing wall column systems	46
Constrained model-free reinforcement learning for process optimization	45
Two-stage chance-constrained programming based on Gaussian mixture model and piecewise linear decision rule for refinery optimization	45
Simultaneous real-time estimation of maximum substrate uptake capacity and yield coefficient in induced microbial cultures	44
Physics Informed Piecewise Linear Neural Networks for Process Optimization	44

The SABYDOMA Safety by Process Control framework for the production of functional, safe and sustainable nanomaterials	44
Editorial Board	44
A robust deep reinforcement learning approach for the control of crystallization processes	44
A stock border compensation technique for gaseous energy scheduling in steel enterprises under uncertainty	43
Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty	43
Multiperiod refinery optimization for mitigating the impact of process unit shutdowns	43
A simulation-based model studying monoethanolamine and aprotic heterocyclic anion ionic liquid (AHA-IL) mixtures for carbon capture	43
Environmental impacts of optimal designs of community energy systems under different CO2 footprints of electric grids	42
Comparative assessment of chloride family hydrogen production cycles driven by a nuclear-geothermal energy system	42
Advancing precision fermentation: Minimizing power demand of industrial scale bioreactors through mechanistic modelling	41
Taking advantage of order consolidation in simultaneous batching and scheduling of multiproduct batch plants	41
A novel time discretization method for solving complex multi-energy system design and operation problems with high penetration of renewable energy	41
Applying and dissecting LSTM neural networks and regularized learning for dynamic inferential modeling	41
Sustainable retrofit of petrochemical energy systems under multiple uncertainties using the stochastic optimization method	40
Simulation-based optimization of distillation processes using an extended cutting plane algorithm	40
An optimization-free Fisher information driven approach for online design of experiments	40
Solution of large-scale supply chain models using graph sampling & coarsening	39
Operability and biomimetic control of a micro-aerated fermentation process	38
Mass and energy balance-assisted data-driven modeling and optimization of batch processes: The case of a batch polymerization process	38
Personalized medicine for GnRH antagonist protocol in in vitro fertilization procedure using modeling and optimal control	37
Highly accelerated kinetic Monte Carlo models for depolymerisation systems	37
Simultaneous design of macroalgae-based integrated biorefineries and their heat exchanger network	37
Physiologically-based pharmacokinetic model for predicting blood and tissue tetrahydrocannabinol concentrations	36
The development of a process simulator transport model for RO systems	36
A multilayered approach to scale-up forced convection-based freezing of human induced pluripotent stem cells	36
Process as a battery: Electricity price aware optimal operation of zeolite crystallization in a continuous oscillatory baffled reactor	36
A targeting algorithm for segregated heat integrated water allocation network	35
Simulation of a flexible multi-vessel extraction plant with counter-current contacting between a solid substrate and supercritical CO2	35
Optimal scheduling of a large-scale power-to-ammonia process: Effects of parameter optimization on the indirect demand response potential	35
Multivariable robust tube-based nonlinear model predictive control of mammalian cell cultures	35
Investigation on modelling and identification of glucose management system for normal individual and diabetic patient	35
Real-time multivariate statistical monitoring of biopharmaceutical processes with no prior product-specific history	35
Production of methanol from renewable sources in Mexico: Supply chain optimization	35
DoE-SINDy: an automated framework for model generation and selection in kinetic studies	34
Neural network models for atmospheric residue desulfurization using real plant data with novel training strategies	34
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	34
Modeling and optimization of ionic liquid-based carbon capture process using a thin-film unit	33
Multi-step lookahead Bayesian optimization with active learning using reinforcement learning and its application to data-driven batch-to-batch optimization	33
Logic-Based Discrete-Steepest Descent: A solution method for process synthesis Generalized Disjunctive Programs	33
Robust control of fed-batch high-cell density cultures: a simulation-based assessment	32
Optimal continuous administration of drugs exhibiting tolerance: A modeling study for linear one compartment pharmacokinetics	32
Graph-to-SFILES: Control structure prediction from process topologies using generative artificial intelligence	31
Multiobjective temperature trajectory optimization for unseeded batch cooling crystallization of aspirin	31
Editorial Board	31
Corrigendum to “Data evaluation for wastewater treatment plants: Linear vs bilinear mass balances” [Computers and Chemical Engineering 195 (2025) 109012]	31
A new solution strategy for multiparametric quadratic programming	30
A novel state-of-health notion and its use for battery aging monitoring of zinc-air batteries	30
Long-term hybrid prediction method based on multiscale decomposition and granular computing for oxygen supply network	30
Practical implementable controller design with guaranteed asymptotic stability for nonlinear systems	30
A review of recent development in numerical simulation of ultrasonic-assisted gas-liquid mass transfer process	29

Integrated design of biopharmaceutical manufacturing processes: Operation modes and process configurations for monoclonal antibody production	29
Condition-based maintenance optimization for multi-equipment batch production system based on stochastic demand	29
A combined variational encoding and optimization framework for design of the water–energy–food nexus	29
Thermal imaging-based state estimation of a Stefan problem with application to cell thawing	28
Applications of machine learning in antibody discovery, process development, manufacturing and formulation: Current trends, challenges, and opportunities	28
An ORP prediction model for acid wastewater sulfidation process based on improved extreme learning machine	28
Population balance modeling of flotation pulp: The route from process frequency functions to spatially distributed models	28
A hybrid dynamic model for the prediction of molten iron and slag quality indices of a large-scale blast furnace	28
Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems	28
Calculation of solid-vapor equilibria for cryogenic carbon capture	28
Computationally efficient battery model for microgrid applications using the Chebyshev spectral method	28
Implementation of nonlinear variable-cost network optimization models for technology assessment in the petrochemicals industry	27
Modeling phosphorous dynamics in a wastewater treatment process using Bayesian optimized LSTM	27
Robust machine learning modeling for predictive control using Lipschitz-Constrained Neural Networks	27
Optimal artificial neural network architecture design for modeling an industrial ethylene oxide plant	27
Data-driven strategies for extractive distillation unit optimization	27
Simulation tools for net-positive process design: Trees as unit operations for carbon sequestration and air quality regulation	26
Operating condition design with a Bayesian optimization approach for pharmaceutical intermediate batch concentration	26
Control of side-stream pressure-swing distillation and extractive distillation for separating azeotropic mixture of cyclohexane and acetone	26
A successive substitution approach with embedded phase stability for simultaneous chemical and phase equilibrium calculations	26
Hierarchical heat transfer modeling of a continuous millireactor	26
ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant	26
A reinforcement learning-based transformed inverse model strategy for nonlinear process control	25
CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways	25
Model predictive control of purple bacteria in raceway reactors: Handling microbial competition, disturbances, and performance	25
Simultaneous optimization of the design of the product, process, and supply chain for formulated product	25
A dynamic model of tablet film coating processes for control system design	25
Hierarchical matrix completion for the prediction of properties of binary mixtures	24
Enhancing fault detection in multivariate industrial processes: Kolmogorov–Smirnov non-parametric statistical approach	24
A graph theoretic representation and analysis of zeolite frameworks	24
Techno-economic analysis of an integrated process for cyanobacteria-based nutrient recovery from livestock waste	24
Learning and optimization under epistemic uncertainty with Bayesian hybrid models	24
Demand response scheduling of copper production under short-term electricity price uncertainty	24
A novel multi-operation sequencing formulation for the crude oil scheduling problem with restricted overlapping constraints	24
Piecewise linear approximation for MILP leveraging piecewise convexity to improve performance	24
Data-driven supply chain monitoring using canonical variate analysis	23
Technical-economic evaluation of an energy-integrated temperature swing adsorption process for compressed air drying	23
Improved design of heat-pump extractive distillation based on the process optimization and multi-criteria sustainability analysis	23
Novel formulations of flexibility index and design centering for design space definition	23
A MILP-based approach to address the production and distribution planning of large industrial gas supply chains	23
Multi-agent reinforcement learning-based exploration of optimal operation strategies of semi-batch reactors	23
Machine learning in process systems engineering: Challenges and opportunities	23
Surrogate-based optimization of capture chromatography platforms for the improvement of computational efficiency	23
Integration of chemical process operation with energy, global market, and plant systems infrastructure	23
Model-based reinforcement learning and predictive control for two-stage optimal control of fed-batch bioreactor	23
Coordinated allocation production routing problem for mobile supply chains with shared factories	23
A hybrid clustering approach integrating first-principles knowledge with data for fault detection in HVAC systems	23
Harnessing graph neural networks to craft fragrances based on consumer feedback	23
Data-driven and physics informed modeling of Chinese Hamster Ovary cell bioreactors	23
Robust-optimization-guiding deep reinforcement learning for chemical material production scheduling	22
A Systematic Literature review for the rig scheduling problem: Classification and state-of-the-art	22
Reducing carbon emissions in cement production through solarization of the calcination process and thermochemical energy storage	22
Learning from fluorescence: A tool for online multiparameter monitoring of a microalgae culture	22
Decarbonizing ethanol production via gas fermentation: Impact of the CO/H2/CO2 mix source on greenhouse gas emissions and production costs	22
Combinatorial Order Pre-processing Search (COPS): A new pre-processing strategy for large-scale interpretable data analysis in process analytical technologies	22
Physics-informed recurrent neural networks and hyper-parameter optimization for dynamic process systems	22
Comparative life cycle assessment of industrial demand-side management via operational optimization	22
Thermal runaway avoidance using Hamilton–Jacobi reachability and model predictive control	22
Crude oil price prediction: A comparison between AdaBoost-LSTM and AdaBoost-GRU for improving forecasting performance	22
Quasi-Newton extremum seeking control based on incremental recursive identification	21
Online detrended fluctuation analysis and improved empirical wavelet transform for real-time oscillations detection in industrial control loops	21
Design space identification of a coupled two-stage batch reactor system	21
Non-myopic Bayesian optimization using model-free reinforcement learning and its application to optimization in electrochemistry	21
Knowledge-enhanced data-driven modeling of wastewater treatment processes for energy consumption prediction	21
Graph neural networks for CO2	21
Identifying Key Drivers for a National Transition to Low Carbon Energy using Agent-based Supply Chain Models	21
Constrained continuous-action reinforcement learning for supply chain inventory management	21
Editorial Board	21
Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis	21
An implicit function formulation for optimization of discretized index-1 differential algebraic systems	21
Normalizing flow-based day-ahead wind power scenario generation for profitable and reliable delivery commitments by wind farm operators	21
Flexible networks to promote the development of industrial symbioses: A new optimization procedure	21
Modeling biogas production from anaerobic wastewater treatment plants using radial basis function networks and differential evolution	21
Designing a resilient medical laboratory service network under disruption and uncertainty: A case study	21
Integrated scheduling of the drying process in a sawmill	20
Multi-objective optimization and algorithm improvement on thermal coupling of SOFC-GT-ORC integrated system	20
Feature selection-based machine learning modeling for distributed model predictive control of nonlinear processes	20
Multi-source heterogeneous data integration for incident likelihood analysis	20
Resilience assessment of the downstream oil supply chain considering the inventory strategy in extreme weather events	20
A robust optimization model for tactical planning of the forest-based biomass supply chain for syngas production	20

Computational fluid dynamics modeling of a discrete feed atomic layer deposition reactor: Application to reactor design and operation	20
Applications of augmented reality (AR) in chemical engineering education: Virtual laboratory work demonstration to digital twin development	20
A hybrid modelling approach to model process dynamics by the discovery of a system of partial differential equations	20
Integrating machine learning detection and encrypted control for enhanced cybersecurity of nonlinear processes	20
Machine learning aided model predictive control with multi-objective optimization and multi-criteria decision making	20
A novel zone-based machine learning approach for the prediction of the performance of industrial flares	19
Reinforcement learning approach to autonomous PID tuning	19
Integration of process knowledge and statistical learning for the Dow data challenge problem	19
A dynamic-inner convolutional autoencoder for process monitoring	19
Incorporating Physical Constraints inside Neural Networks to Improve their Accuracy and Physical Reliability for Chemical Engineering Unit Operations Modeling	19
Gas dispersion modeling in stereoscopic space with obstacles using a novel spatiotemporal prediction network	19
Deterministic mathematical modeling, sensitivity analysis, and dynamic optimization of cross-flow ultrafiltration systems for concentration of monoclonal antibody solutions	19
Simultaneous design of discrete-time inverse response predictor control systems	19
Modeling of bioprocesses via MINLP-based symbolic regression of S-system formalisms	19
Reduced-order Koopman modeling and predictive control of nonlinear processes	19
Editorial Board	19
Scaling up machine learning-based chemical plant simulation: A method for fine-tuning a model to induce stable fixed points	19
CrystalGPT: Enhancing system-to-system transferability in crystallization prediction and control using time-series-transformers	19
Optimized CFD modelling and validation of radiation section of an industrial top-fired steam methane reforming furnace	18
Scheduling-based method for estimating remaining capacity of oil product pipeline under the fair opening	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
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
Direct single shooting for dynamic optimization of differential-algebraic equation systems with optimization criteria embedded	18
A CFD model-based design of seeding processes for two-dimensional mesenchymal stem cell cultivation	18
Systematic design of pulse dosing to eradicate persister bacteria: The case of fluoroquinolones	18
Hypothetical yet effective: Computational identification of high-performing MOFs for CO2 capture	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
Integreted strategic and tactical optimization planning of biomass to bioethanol supply chains coupled with operational plan using vehicle routing: A case study in Ethiopia	18
Dynamic optimization on quantum hardware: Feasibility for a process industry use case	18
Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling	18
Dynamic simulation and control of dual-evaporator compression refrigeration systems	18
Integrating stochastic programming and reliability in the optimal synthesis of chemical processes	18
Techno-economic analysis of a combined power plant CO2 capture and direct air capture concept for flexible power plant operation	18
A Nested Schur decomposition approach for multiperiod optimization of chemical processes	17
Offline reinforcement learning based feeding strategy of ethylene cracking furnace	17
Predictive precision in battery recycling: unveiling lithium battery recycling potential through machine learning	17
A multicut generalized benders decomposition approach for the integration of process operations and dynamic optimization for continuous systems	17
Nonlinear programming reformulation of dynamic flux balance analysis models	17
Optimization approaches to design water-energy-food nexus: A litterature review	17
Refinery planning optimization based on smart predict-then-optimize method under exogenous price uncertainty	17
Integrating feature attribution and symbolic regression for automatic model structure identification and strategic sampling	17
Physics-based Penalization for Hyperparameter Estimation in Gaussian Process Regression	17
A virtual screening framework based on the binding site selectivity for small molecule drug discovery	17
Model-based safe reinforcement learning for nonlinear systems under uncertainty with constraints tightening approach	17
Direct learning of improved control policies from historical plant data	17
An ontology for the design of emulsion-based cosmetic products: Development and applications	16
Editorial Board	16
Editorial Board	16
Pharmaceutical capacity expansion under uncertainty: Framework and models	16
Synthesis and assessment of waste-to-resource routes for circular economy	16
From partial data to out-of-sample parameter and observation estimation with diffusion maps and geometric harmonics	16
Event constrained programming	16
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	16
A new approach for reliability modeling in green closed-loop supply chain design under post-pandemic conditions: A case study	16
A tray-by-tray method for the conceptual design of dividing wall columns	16
Editorial Board	16
Developing operational resilience within CO2 utilisation networks: Towards ensuring business continuity through risk management	16
Data augmentation for forecasting industrial aging processes via conditional multimodal generative time-series models	16
Coordination strategy based on hard-heuristics and price-updating scheme for copper smelting process	16
Dual-layer feature extraction based soft sensor methods and applications to industrial polyethylene processes	16
Editorial Board	16
Flexibility and environmental assessment of process-intensified design solutions: A DWC case study	16
Editorial Board	16
Pricing and remunerating electricity storage flexibility using virtual links	16
A Generalized Framework for Reactor Network Synthesis: A Graph Theoretic Approach	16
A practical scenario generation method for electricity prices on day-ahead and intraday spot markets	16
Development of machine learning based model for low-temperature PEM fuel cells	16
Editorial Board	15
Globally optimal distillation column design using set trimming and enumeration techniques	15
Hybrid quantum-classical multi-cut Benders approach with a power system application	15
An Efficient Reinforcement Learning Approach to Optimal Control with Application to Biodiesel Production	15
Modeling and multi-objective optimization of the digestion tank of an industrial process for manufacturing phosphoric acid by wet process	15
Superstructure optimization models for regional coal industry development considering water resources constraints—A case study of Ordos, China	15
Optimal scheduling for simultaneous refinery manufacturing and multi oil-product pipeline distribution	15
Control-aware batch process scheduling	15
A practical Reinforcement Learning implementation approach for continuous process control	15
Algebraic surrogate-based flexibility analysis of process units with complicating process constraints	15
Tracking model predictive control and moving horizon estimation design of distributed parameter pipeline systems	15
A novel framework for the identification of complex feasible space	15
A workflow management system for reproducible and interoperable high-throughput self-driving experiments	15
Improved prediction of biomass gasification models through machine learning	15
Selectivity engineering with single-feed hybrid reactive distillation configurations: Complex reaction schemes having nonideal kinetics with/without inerts	15
Multi-fidelity data-driven design and analysis of reactor and tube simulations	15
Assessment of Lagrangean decomposition for short-term planning of integrated refinery-petrochemical operations	15
The traveling deliveryman problem under uncertainty: Fundamentals for flexible supply chains	15
Fault detection and diagnosis for non-linear processes empowered by dynamic neural networks	15
Development of a deep learning-based group contribution framework for targeted design of ionic liquids	15
Quantifying space-time load shifting flexibility in electricity markets	15
A perturbed Port-Hamiltonian approach for the stabilization of homogeneous reaction systems via the control of vessel extents	15
Handling Type-I and Type-II endogenous uncertainties in simultaneous production planning and condition-based maintenance optimization in continuous production	14
A time series forecasting method for oil production based on Informer optimized by Bayesian optimization and the hyperband algorithm (BOHB)	14
Reinforcement learning for soft sensor design through autonomous cross-domain data selection	14
Electrification of CO2 conversion into chemicals and fuels: Gaps and opportunities in process systems engineering	14
Integrating quantum and classical computing for multi-energy system optimization using Benders decomposition	14