Computers & Chemical Engineering

Article	Citations
A modular-hierarchical framework for the pressure-driven simulation of heat exchanger dynamics	178
Simultaneous real-time estimation of maximum substrate uptake capacity and yield coefficient in induced microbial cultures	118
Dual dynamic programming for multi-scale mixed-integer MPC	110
Robust model predictive control with embedded multi-scenario closed-loop prediction	100
A computationally efficient formulation of the governing equations for unit operation design	90
A simulation-based model studying monoethanolamine and aprotic heterocyclic anion ionic liquid (AHA-IL) mixtures for carbon capture	86
Closed-loop robust steady-state target calculation for model predictive control	84
Two-stage chance-constrained programming based on Gaussian mixture model and piecewise linear decision rule for refinery optimization	71
A decentralized control strategy for improved batch tablet coating process operation	68
Hybrid modeling supported development of an industrial small-molecule flow chemistry process	67
A stock border compensation technique for gaseous energy scheduling in steel enterprises under uncertainty	58
Solution of large-scale supply chain models using graph sampling & coarsening	53
Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty	52
Optimal design of offshore wind power farm in high resolution using geographical information system	51
Process plant layout optimization considering domino effects and safety devices in a large-scale chemical plant	48
A MINLP approach to improve heat transfer in flat plates through the optimal distribution of nanoparticles	47
Computers and chemical engineering virtual special issue in honor of Professor George Stephanopoulos	47
Editorial Board	46
A novel time discretization method for solving complex multi-energy system design and operation problems with high penetration of renewable energy	45
A bilevel data-driven framework for robust optimization under uncertainty – applied to fluid catalytic cracking unit	44
An optimization-free Fisher information driven approach for online design of experiments	44
Sustainable retrofit of petrochemical energy systems under multiple uncertainties using the stochastic optimization method	43
The economic study of centralised water reuse exchange system in the industrial park considering wastewater segregation	43
COBALT: COnstrained Bayesian optimizAtion of computationaLly expensive grey-box models exploiting derivaTive information	42
Mathematical programming model for the optimal management of carbon intensity indicators in global supply chains	41

A Process Intensification synthesis framework for the design of dividing wall column systems	41
Applying and dissecting LSTM neural networks and regularized learning for dynamic inferential modeling	41
Simulation-based optimization of distillation processes using an extended cutting plane algorithm	41
Taking advantage of order consolidation in simultaneous batching and scheduling of multiproduct batch plants	41
Process evaluation for the separation of acetonitrile-water using extractive distillation with deep eutectic solvents as entrainers	40
Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks	39
Environmental impacts of optimal designs of community energy systems under different CO2 footprints of electric grids	39
Multiperiod refinery optimization for mitigating the impact of process unit shutdowns	39
Comparative assessment of chloride family hydrogen production cycles driven by a nuclear-geothermal energy system	38
Sunlight harvesting	38
Physics Informed Piecewise Linear Neural Networks for Process Optimization	38
Dynamic simulation and analysis of dichloromethane-acetone, dichloromethane-trichloromethane and dichloromethane-toluene VOC mixture abatement systems under transient feed conditions	38
Biomass waste-to-energy supply chain optimization with mobile production modules	37
Random field optimization	37
Modeling and optimization of ionic liquid-based carbon capture process using a thin-film unit	37
Constrained model-free reinforcement learning for process optimization	37
Multiobjective temperature trajectory optimization for unseeded batch cooling crystallization of aspirin	37
Advancing precision fermentation: Minimizing power demand of industrial scale bioreactors through mechanistic modelling	37
A novel state-of-health notion and its use for battery aging monitoring of zinc-air batteries	36
Optimal scheduling of a large-scale power-to-ammonia process: Effects of parameter optimization on the indirect demand response potential	36
Operability and biomimetic control of a micro-aerated fermentation process	36
Mass and energy balance-assisted data-driven modeling and optimization of batch processes: The case of a batch polymerization process	36
Condition-based maintenance optimization for multi-equipment batch production system based on stochastic demand	34
A new solution strategy for multiparametric quadratic programming	34
Graph-to-SFILES: Control structure prediction from process topologies using generative artificial intelligence	34
Real-time multivariate statistical monitoring of biopharmaceutical processes with no prior product-specific history	34
Simultaneous design of macroalgae-based integrated biorefineries and their heat exchanger network	34
Neural network models for atmospheric residue desulfurization using real plant data with novel training strategies	34
Process as a battery: Electricity price aware optimal operation of zeolite crystallization in a continuous oscillatory baffled reactor	34
Integrated design of biopharmaceutical manufacturing processes: Operation modes and process configurations for monoclonal antibody production	34
Computationally efficient battery model for microgrid applications using the Chebyshev spectral method	34
Highly accelerated kinetic Monte Carlo models for depolymerisation systems	33
A multilayered approach to scale-up forced convection-based freezing of human induced pluripotent stem cells	33
Personalized medicine for GnRH antagonist protocol in in vitro fertilization procedure using modeling and optimal control	33
Data-driven strategies for extractive distillation unit optimization	32
Physiologically-based pharmacokinetic model for predicting blood and tissue tetrahydrocannabinol concentrations	32
Corrigendum to “Data evaluation for wastewater treatment plants: Linear vs bilinear mass balances” [Computers and Chemical Engineering 195 (2025) 109012]	32
The development of a process simulator transport model for RO systems	32
Modeling phosphorous dynamics in a wastewater treatment process using Bayesian optimized LSTM	32
Population balance modeling of flotation pulp: The route from process frequency functions to spatially distributed models	32
A targeting algorithm for segregated heat integrated water allocation network	31
Optimal continuous administration of drugs exhibiting tolerance: A modeling study for linear one compartment pharmacokinetics	31
An ORP prediction model for acid wastewater sulfidation process based on improved extreme learning machine	31
Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems	31
Robust control of fed-batch high-cell density cultures: a simulation-based assessment	31
Investigation on modelling and identification of glucose management system for normal individual and diabetic patient	31
Practical implementable controller design with guaranteed asymptotic stability for nonlinear systems	31
Simulation of a flexible multi-vessel extraction plant with counter-current contacting between a solid substrate and supercritical CO2	30
Thermal imaging-based state estimation of a Stefan problem with application to cell thawing	29
Editorial Board	29

Production of methanol from renewable sources in Mexico: Supply chain optimization	28
A review of recent development in numerical simulation of ultrasonic-assisted gas-liquid mass transfer process	28
Multivariable robust tube-based nonlinear model predictive control of mammalian cell cultures	28
Optimal artificial neural network architecture design for modeling an industrial ethylene oxide plant	28
Applications of machine learning in antibody discovery, process development, manufacturing and formulation: Current trends, challenges, and opportunities	27
Calculation of solid-vapor equilibria for cryogenic carbon capture	27
A hybrid dynamic model for the prediction of molten iron and slag quality indices of a large-scale blast furnace	27
Multi-step lookahead Bayesian optimization with active learning using reinforcement learning and its application to data-driven batch-to-batch optimization	27
Long-term hybrid prediction method based on multiscale decomposition and granular computing for oxygen supply network	27
Logic-Based Discrete-Steepest Descent: A solution method for process synthesis Generalized Disjunctive Programs	26
A graph theoretic representation and analysis of zeolite frameworks	26
A combined variational encoding and optimization framework for design of the water–energy–food nexus	26
Harnessing graph neural networks to craft fragrances based on consumer feedback	26
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	26
A MILP-based approach to address the production and distribution planning of large industrial gas supply chains	26
Data-driven and physics informed modeling of Chinese Hamster Ovary cell bioreactors	26
Hierarchical matrix completion for the prediction of properties of binary mixtures	25
Piecewise linear approximation for MILP leveraging piecewise convexity to improve performance	25
Crude oil price prediction: A comparison between AdaBoost-LSTM and AdaBoost-GRU for improving forecasting performance	25
Surrogate-based optimization of capture chromatography platforms for the improvement of computational efficiency	25
Implementation of nonlinear variable-cost network optimization models for technology assessment in the petrochemicals industry	24
Novel formulations of flexibility index and design centering for design space definition	24
Coordinated allocation production routing problem for mobile supply chains with shared factories	24
Model-based reinforcement learning and predictive control for two-stage optimal control of fed-batch bioreactor	24
Physics-informed recurrent neural networks and hyper-parameter optimization for dynamic process systems	24
Multi-agent reinforcement learning-based exploration of optimal operation strategies of semi-batch reactors	24
ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant	24
Technical-economic evaluation of an energy-integrated temperature swing adsorption process for compressed air drying	24
A reinforcement learning-based transformed inverse model strategy for nonlinear process control	24
Integration of chemical process operation with energy, global market, and plant systems infrastructure	24
Control of side-stream pressure-swing distillation and extractive distillation for separating azeotropic mixture of cyclohexane and acetone	23
Operating condition design with a Bayesian optimization approach for pharmaceutical intermediate batch concentration	23
Hierarchical heat transfer modeling of a continuous millireactor	23
A novel multi-operation sequencing formulation for the crude oil scheduling problem with restricted overlapping constraints	23
CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways	23
A successive substitution approach with embedded phase stability for simultaneous chemical and phase equilibrium calculations	23
Simulation tools for net-positive process design: Trees as unit operations for carbon sequestration and air quality regulation	23
Model predictive control of purple bacteria in raceway reactors: Handling microbial competition, disturbances, and performance	23
Data-driven supply chain monitoring using canonical variate analysis	22
Improved design of heat-pump extractive distillation based on the process optimization and multi-criteria sustainability analysis	22
Enhancing fault detection in multivariate industrial processes: Kolmogorov–Smirnov non-parametric statistical approach	22
A hybrid clustering approach integrating first-principles knowledge with data for fault detection in HVAC systems	22
A dynamic model of tablet film coating processes for control system design	22
Reducing carbon emissions in cement production through solarization of the calcination process and thermochemical energy storage	22
Simultaneous optimization of the design of the product, process, and supply chain for formulated product	21
Demand response scheduling of copper production under short-term electricity price uncertainty	21
Thermal runaway avoidance using Hamilton–Jacobi reachability and model predictive control	21
Machine learning in process systems engineering: Challenges and opportunities	21
Learning and optimization under epistemic uncertainty with Bayesian hybrid models	21
Robust machine learning modeling for predictive control using Lipschitz-Constrained Neural Networks	21
An implicit function formulation for optimization of discretized index-1 differential algebraic systems	20
Comparative life cycle assessment of industrial demand-side management via operational optimization	20
A feasible path-based approach for Dividing Wall Column design procedure	20
A Systematic Literature review for the rig scheduling problem: Classification and state-of-the-art	20
Resilience assessment of the downstream oil supply chain considering the inventory strategy in extreme weather events	20
Combinatorial Order Pre-processing Search (COPS): A new pre-processing strategy for large-scale interpretable data analysis in process analytical technologies	20
Learning from fluorescence: A tool for online multiparameter monitoring of a microalgae culture	20
Normalizing flow-based day-ahead wind power scenario generation for profitable and reliable delivery commitments by wind farm operators	20
Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis	19
Design space identification of a coupled two-stage batch reactor system	19
Knowledge-enhanced data-driven modeling of wastewater treatment processes for energy consumption prediction	19
Two-stage distributionally robust optimization for maritime inventory routing	19
Flexible networks to promote the development of industrial symbioses: A new optimization procedure	19
Online detrended fluctuation analysis and improved empirical wavelet transform for real-time oscillations detection in industrial control loops	19
Graph neural networks for CO2	19
Integrated scheduling of the drying process in a sawmill	19
Designing a resilient medical laboratory service network under disruption and uncertainty: A case study	19
Reduced-order Koopman modeling and predictive control of nonlinear processes	19
Decarbonizing ethanol production via gas fermentation: Impact of the CO/H2/CO2 mix source on greenhouse gas emissions and production costs	19
Applications of augmented reality (AR) in chemical engineering education: Virtual laboratory work demonstration to digital twin development	19
Quasi-Newton extremum seeking control based on incremental recursive identification	19
Non-myopic Bayesian optimization using model-free reinforcement learning and its application to optimization in electrochemistry	19
Computational fluid dynamics modeling of a discrete feed atomic layer deposition reactor: Application to reactor design and operation	19
Multi-objective optimization and algorithm improvement on thermal coupling of SOFC-GT-ORC integrated system	19
A robust optimization model for tactical planning of the forest-based biomass supply chain for syngas production	19
Robust-optimization-guiding deep reinforcement learning for chemical material production scheduling	19
Process design for plastic waste pyrolysis: Yield analysis and economic assessment	18
A hybrid modelling approach to model process dynamics by the discovery of a system of partial differential equations	18
Reinforcement learning approach to autonomous PID tuning	18
Constrained continuous-action reinforcement learning for supply chain inventory management	18

Feature selection-based machine learning modeling for distributed model predictive control of nonlinear processes	18
Gas dispersion modeling in stereoscopic space with obstacles using a novel spatiotemporal prediction network	18
A multicut generalized benders decomposition approach for the integration of process operations and dynamic optimization for continuous systems	18
Modeling biogas production from anaerobic wastewater treatment plants using radial basis function networks and differential evolution	18
An extended Tennessee Eastman simulation dataset for fault-detection and decision support systems	18
Integrating machine learning detection and encrypted control for enhanced cybersecurity of nonlinear processes	18
Dynamic optimization on quantum hardware: Feasibility for a process industry use case	18
Modeling of bioprocesses via MINLP-based symbolic regression of S-system formalisms	18
Identifying Key Drivers for a National Transition to Low Carbon Energy using Agent-based Supply Chain Models	18
A novel zone-based machine learning approach for the prediction of the performance of industrial flares	18
Multi-source heterogeneous data integration for incident likelihood analysis	18
Machine learning aided model predictive control with multi-objective optimization and multi-criteria decision making	18
Refinery planning optimization based on smart predict-then-optimize method under exogenous price uncertainty	17
Design of switching multilinear model predictive control using gap metric	17
Simultaneous design of discrete-time inverse response predictor control systems	17
A dynamic-inner convolutional autoencoder for process monitoring	17
Model-based safe reinforcement learning for nonlinear systems under uncertainty with constraints tightening approach	17
Physics-based Penalization for Hyperparameter Estimation in Gaussian Process Regression	17
Integrating stochastic programming and reliability in the optimal synthesis of chemical processes	17
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	17
An integrated approach for modeling and identification of perfusion bioreactors via basis flux modes	17
Digital twins in process engineering: An overview on computational and numerical methods	17
Editorial Board	17
Nonlinear programming reformulation of dynamic flux balance analysis models	17
A Nested Schur decomposition approach for multiperiod optimization of chemical processes	17
Hypothetical yet effective: Computational identification of high-performing MOFs for CO2 capture	17
Techno-economic analysis of a combined power plant CO2 capture and direct air capture concept for flexible power plant operation	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
Deterministic mathematical modeling, sensitivity analysis, and dynamic optimization of cross-flow ultrafiltration systems for concentration of monoclonal antibody solutions	17
Deeppipe: a customized generative model for estimations of liquid pipeline leakage parameters	17
Systematic design of pulse dosing to eradicate persister bacteria: The case of fluoroquinolones	17
Scaling up machine learning-based chemical plant simulation: A method for fine-tuning a model to induce stable fixed points	17
Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling	17
Scheduling-based method for estimating remaining capacity of oil product pipeline under the fair opening	17
Dynamic simulation and control of dual-evaporator compression refrigeration systems	17
Integration of process knowledge and statistical learning for the Dow data challenge problem	16
From partial data to out-of-sample parameter and observation estimation with diffusion maps and geometric harmonics	16
A virtual screening framework based on the binding site selectivity for small molecule drug discovery	16
Performance modeling of Allam cycle integrated with a cryogenic air separation process	16
Development of machine learning based model for low-temperature PEM fuel cells	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
Predictive precision in battery recycling: unveiling lithium battery recycling potential through machine learning	16
A CFD model-based design of seeding processes for two-dimensional mesenchymal stem cell cultivation	16
Optimization approaches to design water-energy-food nexus: A litterature review	16
Direct learning of improved control policies from historical plant data	16
CrystalGPT: Enhancing system-to-system transferability in crystallization prediction and control using time-series-transformers	16
Fault detection and diagnosis for non-linear processes empowered by dynamic neural networks	16
Direct single shooting for dynamic optimization of differential-algebraic equation systems with optimization criteria embedded	16
Optimized CFD modelling and validation of radiation section of an industrial top-fired steam methane reforming furnace	16
Offline reinforcement learning based feeding strategy of ethylene cracking furnace	16
A new approach for reliability modeling in green closed-loop supply chain design under post-pandemic conditions: A case study	15
A Generalized Framework for Reactor Network Synthesis: A Graph Theoretic Approach	15
Editorial Board	15
An ontology for the design of emulsion-based cosmetic products: Development and applications	15
Editorial Board	15
The traveling deliveryman problem under uncertainty: Fundamentals for flexible supply chains	15
Flexibility and environmental assessment of process-intensified design solutions: A DWC case study	15
Integration of feedback control and run-to-run control for plasma enhanced atomic layer deposition of hafnium oxide thin films	15
Dual-layer feature extraction based soft sensor methods and applications to industrial polyethylene processes	15
Editorial Board	15
Editorial Board	15
Editorial Board	15
Quantifying space-time load shifting flexibility in electricity markets	15
Globally optimal distillation column design using set trimming and enumeration techniques	15
Synthesis and assessment of waste-to-resource routes for circular economy	14
Tracking model predictive control and moving horizon estimation design of distributed parameter pipeline systems	14
An Efficient Reinforcement Learning Approach to Optimal Control with Application to Biodiesel Production	14
Modeling and multi-objective optimization of the digestion tank of an industrial process for manufacturing phosphoric acid by wet process	14
Developing operational resilience within CO2 utilisation networks: Towards ensuring business continuity through risk management	14
A novel framework for the identification of complex feasible space	14
Assessment of Lagrangean decomposition for short-term planning of integrated refinery-petrochemical operations	14
Superstructure optimization models for regional coal industry development considering water resources constraints—A case study of Ordos, China	14
Development of a deep learning-based group contribution framework for targeted design of ionic liquids	14
Optimal scheduling for simultaneous refinery manufacturing and multi oil-product pipeline distribution	14
Distributing Chemical Reactions between Cell Populations: Exemplar Studies	14
A workflow management system for reproducible and interoperable high-throughput self-driving experiments	14
Pharmaceutical capacity expansion under uncertainty: Framework and models	14
Data augmentation for forecasting industrial aging processes via conditional multimodal generative time-series models	14
Hybrid quantum-classical multi-cut Benders approach with a power system application	14
Pricing and remunerating electricity storage flexibility using virtual links	14
A practical Reinforcement Learning implementation approach for continuous process control	14
Algebraic surrogate-based flexibility analysis of process units with complicating process constraints	14
Editorial Board	14
Improved prediction of biomass gasification models through machine learning	14
A tray-by-tray method for the conceptual design of dividing wall columns	14
Unsupervised learning: Local and global structure preservation in industrial data	13
Model predictive control and moving horizon estimation for adaptive optimal bolus feeding in high-throughput cultivation of E. coli	13
Identification of MIMO Wiener-type Koopman models for data-driven model reduction using deep learning	13
Modeling and simulation of a steam-selective membrane reactor for power-to-methanol	13
Explainability: Relevance based dynamic deep learning algorithm for fault detection and diagnosis in chemical processes	13
Combining multi-fidelity modelling and asynchronous batch Bayesian Optimization	13
Prediction of methane hydrate formation conditions in salt water using machine learning algorithms	13
A study on comparative environmental impact assessment of thermochemical cycles and steam methane reforming processes for hydrogen production processes	13
Multistage optimization of a petroleum production system with material balance model	13
Impact of kinetic models in the prediction accuracy of an industrial steam methane reforming unit	13