Computers & Chemical Engineering

Article	Citations
A computationally efficient formulation of the governing equations for unit operation design	188
Closed-loop robust steady-state target calculation for model predictive control	126
Two-stage chance-constrained programming based on Gaussian mixture model and piecewise linear decision rule for refinery optimization	117
A decentralized control strategy for improved batch tablet coating process operation	106
Process plant layout optimization considering domino effects and safety devices in a large-scale chemical plant	97
A novel time discretization method for solving complex multi-energy system design and operation problems with high penetration of renewable energy	96
Computers and chemical engineering virtual special issue in honor of Professor George Stephanopoulos	92
A MINLP approach to improve heat transfer in flat plates through the optimal distribution of nanoparticles	75
Editorial Board	66
Dynamic simulation and analysis of dichloromethane-acetone, dichloromethane-trichloromethane and dichloromethane-toluene VOC mixture abatement systems under transient feed conditions	56
Sustainable retrofit of petrochemical energy systems under multiple uncertainties using the stochastic optimization method	56
Hybrid modeling supported development of an industrial small-molecule flow chemistry process	55
COBALT: COnstrained Bayesian optimizAtion of computationaLly expensive grey-box models exploiting derivaTive information	48
Random field optimization	48
Process evaluation for the separation of acetonitrile-water using extractive distillation with deep eutectic solvents as entrainers	48
Anomaly detection for drug product manufacturing considering data limitations and shifts: A case study on industrial freeze-dryers	47
A bilevel data-driven framework for robust optimization under uncertainty – applied to fluid catalytic cracking unit	47
The economic study of centralised water reuse exchange system in the industrial park considering wastewater segregation	46
Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks	45
Taking advantage of order consolidation in simultaneous batching and scheduling of multiproduct batch plants	45
Sunlight harvesting	45
Applying and dissecting LSTM neural networks and regularized learning for dynamic inferential modeling	44
Simultaneous real-time estimation of maximum substrate uptake capacity and yield coefficient in induced microbial cultures	44
Mathematical programming model for the optimal management of carbon intensity indicators in global supply chains	44
A modular-hierarchical framework for the pressure-driven simulation of heat exchanger dynamics	44

Optimal design of offshore wind power farm in high resolution using geographical information system	44
A stock border compensation technique for gaseous energy scheduling in steel enterprises under uncertainty	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
A Process Intensification synthesis framework for the design of dividing wall column systems	42
Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty	42
Constrained model-free reinforcement learning for process optimization	42
Solution of large-scale supply chain models using graph sampling & coarsening	42
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
Physics Informed Piecewise Linear Neural Networks for Process Optimization	40
Biomass waste-to-energy supply chain optimization with mobile production modules	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
Mass and energy balance-assisted data-driven modeling and optimization of batch processes: The case of a batch polymerization process	39
Advancing precision fermentation: Minimizing power demand of industrial scale bioreactors through mechanistic modelling	39
Computationally efficient battery model for microgrid applications using the Chebyshev spectral method	38
Operability and biomimetic control of a micro-aerated fermentation process	38
Highly accelerated kinetic Monte Carlo models for depolymerisation systems	38
Simultaneous design of macroalgae-based integrated biorefineries and their heat exchanger network	38
Personalized medicine for GnRH antagonist protocol in in vitro fertilization procedure using modeling and optimal control	37
The development of a process simulator transport model for RO systems	37
A multilayered approach to scale-up forced convection-based freezing of human induced pluripotent stem cells	37
Physiologically-based pharmacokinetic model for predicting blood and tissue tetrahydrocannabinol concentrations	36
Investigation on modelling and identification of glucose management system for normal individual and diabetic patient	36
Process as a battery: Electricity price aware optimal operation of zeolite crystallization in a continuous oscillatory baffled reactor	36
Production of methanol from renewable sources in Mexico: Supply chain optimization	35
Multivariable robust tube-based nonlinear model predictive control of mammalian cell cultures	35
Simulation of a flexible multi-vessel extraction plant with counter-current contacting between a solid substrate and supercritical CO2	35
Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems	35
Neural network models for atmospheric residue desulfurization using real plant data with novel training strategies	34
A targeting algorithm for segregated heat integrated water allocation network	34
Thermal imaging-based state estimation of a Stefan problem with application to cell thawing	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
Real-time multivariate statistical monitoring of biopharmaceutical processes with no prior product-specific history	33
Optimal scheduling of a large-scale power-to-ammonia process: Effects of parameter optimization on the indirect demand response potential	33
Robust control of fed-batch high-cell density cultures: a simulation-based assessment	33
Editorial Board	32
Multiobjective temperature trajectory optimization for unseeded batch cooling crystallization of aspirin	32
Optimal continuous administration of drugs exhibiting tolerance: A modeling study for linear one compartment pharmacokinetics	32
An ORP prediction model for acid wastewater sulfidation process based on improved extreme learning machine	31
A combined variational encoding and optimization framework for design of the water–energy–food nexus	31
Calculation of solid-vapor equilibria for cryogenic carbon capture	31
A novel state-of-health notion and its use for battery aging monitoring of zinc-air batteries	31
A hybrid dynamic model for the prediction of molten iron and slag quality indices of a large-scale blast furnace	30
Population balance modeling of flotation pulp: The route from process frequency functions to spatially distributed models	30
Long-term hybrid prediction method based on multiscale decomposition and granular computing for oxygen supply network	30
Optimal artificial neural network architecture design for modeling an industrial ethylene oxide plant	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

Logic-Based Discrete-Steepest Descent: A solution method for process synthesis Generalized Disjunctive Programs	29
Data-driven strategies for extractive distillation unit optimization	29
A new solution strategy for multiparametric quadratic programming	29
Modeling and optimization of ionic liquid-based carbon capture process using a thin-film unit	29
Condition-based maintenance optimization for multi-equipment batch production system based on stochastic demand	28
Modeling phosphorous dynamics in a wastewater treatment process using Bayesian optimized LSTM	28
Multi-step lookahead Bayesian optimization with active learning using reinforcement learning and its application to data-driven batch-to-batch optimization	28
Applications of machine learning in antibody discovery, process development, manufacturing and formulation: Current trends, challenges, and opportunities	27
Implementation of nonlinear variable-cost network optimization models for technology assessment in the petrochemicals industry	27
Robust machine learning modeling for predictive control using Lipschitz-Constrained Neural Networks	27
Crude oil price prediction: A comparison between AdaBoost-LSTM and AdaBoost-GRU for improving forecasting performance	27
DoE-SINDy: an automated framework for model generation and selection in kinetic studies	27
Integrated design of biopharmaceutical manufacturing processes: Operation modes and process configurations for monoclonal antibody production	27
Integration of chemical process operation with energy, global market, and plant systems infrastructure	27
A successive substitution approach with embedded phase stability for simultaneous chemical and phase equilibrium calculations	26
Technical-economic evaluation of an energy-integrated temperature swing adsorption process for compressed air drying	26
A MILP-based approach to address the production and distribution planning of large industrial gas supply chains	26
ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant	25
Control of side-stream pressure-swing distillation and extractive distillation for separating azeotropic mixture of cyclohexane and acetone	25
Coordinated allocation production routing problem for mobile supply chains with shared factories	25
Operating condition design with a Bayesian optimization approach for pharmaceutical intermediate batch concentration	25
Simulation tools for net-positive process design: Trees as unit operations for carbon sequestration and air quality regulation	25
Hierarchical heat transfer modeling of a continuous millireactor	24
Harnessing graph neural networks to craft fragrances based on consumer feedback	24
Surrogate-based optimization of capture chromatography platforms for the improvement of computational efficiency	24
A graph theoretic representation and analysis of zeolite frameworks	24
Model predictive control of purple bacteria in raceway reactors: Handling microbial competition, disturbances, and performance	24
Model-based reinforcement learning and predictive control for two-stage optimal control of fed-batch bioreactor	24
Enhancing fault detection in multivariate industrial processes: Kolmogorov–Smirnov non-parametric statistical approach	24
Novel formulations of flexibility index and design centering for design space definition	24
Multi-agent reinforcement learning-based exploration of optimal operation strategies of semi-batch reactors	24
A dynamic model of tablet film coating processes for control system design	24
A reinforcement learning-based transformed inverse model strategy for nonlinear process control	24
Demand response scheduling of copper production under short-term electricity price uncertainty	24
Data-driven and physics informed modeling of Chinese Hamster Ovary cell bioreactors	23
Piecewise linear approximation for MILP leveraging piecewise convexity to improve performance	23
CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways	23
Machine learning in process systems engineering: Challenges and opportunities	23
Physics-informed recurrent neural networks and hyper-parameter optimization for dynamic process systems	23
Simultaneous optimization of the design of the product, process, and supply chain for formulated product	23
Improved design of heat-pump extractive distillation based on the process optimization and multi-criteria sustainability analysis	22
Combinatorial Order Pre-processing Search (COPS): A new pre-processing strategy for large-scale interpretable data analysis in process analytical technologies	22
Learning from fluorescence: A tool for online multiparameter monitoring of a microalgae culture	22
Reducing carbon emissions in cement production through solarization of the calcination process and thermochemical energy storage	22
Data-driven supply chain monitoring using canonical variate analysis	22
A Systematic Literature review for the rig scheduling problem: Classification and state-of-the-art	22
Thermal runaway avoidance using Hamilton–Jacobi reachability and model predictive control	22
A novel multi-operation sequencing formulation for the crude oil scheduling problem with restricted overlapping constraints	22
A hybrid clustering approach integrating first-principles knowledge with data for fault detection in HVAC systems	22
Comparative life cycle assessment of industrial demand-side management via operational optimization	22
Learning and optimization under epistemic uncertainty with Bayesian hybrid models	22
Decarbonizing ethanol production via gas fermentation: Impact of the CO/H2/CO2 mix source on greenhouse gas emissions and production costs	21
Non-myopic Bayesian optimization using model-free reinforcement learning and its application to optimization in electrochemistry	21
Robust-optimization-guiding deep reinforcement learning for chemical material production scheduling	21
Quasi-Newton extremum seeking control based on incremental recursive identification	21
Constrained continuous-action reinforcement learning for supply chain inventory management	21
Editorial Board	21
Multi-source heterogeneous data integration for incident likelihood analysis	21
Multi-objective optimization and algorithm improvement on thermal coupling of SOFC-GT-ORC integrated system	21
An implicit function formulation for optimization of discretized index-1 differential algebraic systems	21
Design space identification of a coupled two-stage batch reactor system	21
Designing a resilient medical laboratory service network under disruption and uncertainty: A case study	21
Knowledge-enhanced data-driven modeling of wastewater treatment processes for energy consumption prediction	21
A novel zone-based machine learning approach for the prediction of the performance of industrial flares	21
Computational fluid dynamics modeling of a discrete feed atomic layer deposition reactor: Application to reactor design and operation	21
Normalizing flow-based day-ahead wind power scenario generation for profitable and reliable delivery commitments by wind farm operators	20
Integrated scheduling of the drying process in a sawmill	20
Modeling biogas production from anaerobic wastewater treatment plants using radial basis function networks and differential evolution	20
Reinforcement learning approach to autonomous PID tuning	20
Identifying Key Drivers for a National Transition to Low Carbon Energy using Agent-based Supply Chain Models	20
Resilience assessment of the downstream oil supply chain considering the inventory strategy in extreme weather events	20
Reduced-order Koopman modeling and predictive control of nonlinear processes	20
A hybrid modelling approach to model process dynamics by the discovery of a system of partial differential equations	20
Flexible networks to promote the development of industrial symbioses: A new optimization procedure	20
Online detrended fluctuation analysis and improved empirical wavelet transform for real-time oscillations detection in industrial control loops	20
Applications of augmented reality (AR) in chemical engineering education: Virtual laboratory work demonstration to digital twin development	20
Graph neural networks for CO2	20
Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis	20
Systematic design of pulse dosing to eradicate persister bacteria: The case of fluoroquinolones	19
Feature selection-based machine learning modeling for distributed model predictive control of nonlinear processes	19

Editorial Board	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
Machine learning aided model predictive control with multi-objective optimization and multi-criteria decision making	19
Gas dispersion modeling in stereoscopic space with obstacles using a novel spatiotemporal prediction network	19
Integrating machine learning detection and encrypted control for enhanced cybersecurity of nonlinear processes	19
Scheduling-based method for estimating remaining capacity of oil product pipeline under the fair opening	19
A robust optimization model for tactical planning of the forest-based biomass supply chain for syngas production	19
Modeling of bioprocesses via MINLP-based symbolic regression of S-system formalisms	19
Design of switching multilinear model predictive control using gap metric	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	18
Integrating stochastic programming and reliability in the optimal synthesis of chemical processes	18
Hypothetical yet effective: Computational identification of high-performing MOFs for CO2 capture	18
Model-based safe reinforcement learning for nonlinear systems under uncertainty with constraints tightening approach	18
Offline reinforcement learning based feeding strategy of ethylene cracking furnace	18
Dynamic simulation and control of dual-evaporator compression refrigeration systems	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
Techno-economic analysis of a combined power plant CO2 capture and direct air capture concept for flexible power plant operation	18
A multicut generalized benders decomposition approach for the integration of process operations and dynamic optimization for continuous systems	18
Direct learning of improved control policies from historical plant data	18
Dynamic optimization on quantum hardware: Feasibility for a process industry use case	18
Integrating feature attribution and symbolic regression for automatic model structure identification and strategic sampling	18
Scaling up machine learning-based chemical plant simulation: A method for fine-tuning a model to induce stable fixed points	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
A CFD model-based design of seeding processes for two-dimensional mesenchymal stem cell cultivation	18
Nonlinear programming reformulation of dynamic flux balance analysis models	18
Optimized CFD modelling and validation of radiation section of an industrial top-fired steam methane reforming furnace	18
Editorial Board	17
Physics-based Penalization for Hyperparameter Estimation in Gaussian Process Regression	17
Optimization approaches to design water-energy-food nexus: A litterature review	17
CrystalGPT: Enhancing system-to-system transferability in crystallization prediction and control using time-series-transformers	17
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	17
Flexibility and environmental assessment of process-intensified design solutions: A DWC case study	17
Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling	17
Predictive precision in battery recycling: unveiling lithium battery recycling potential through machine learning	17
A Nested Schur decomposition approach for multiperiod optimization of chemical processes	17
A virtual screening framework based on the binding site selectivity for small molecule drug discovery	17
A dynamic-inner convolutional autoencoder for process monitoring	17
A new approach for reliability modeling in green closed-loop supply chain design under post-pandemic conditions: A case study	17
Editorial Board	17
Integration of process knowledge and statistical learning for the Dow data challenge problem	17
Refinery planning optimization based on smart predict-then-optimize method under exogenous price uncertainty	17
Process design for plastic waste pyrolysis: Yield analysis and economic assessment	17
Digital twins in process engineering: An overview on computational and numerical methods	17
Editorial Board	17
Editorial Board	16
A tray-by-tray method for the conceptual design of dividing wall columns	16
From partial data to out-of-sample parameter and observation estimation with diffusion maps and geometric harmonics	16
Pricing and remunerating electricity storage flexibility using virtual links	16
Tracking model predictive control and moving horizon estimation design of distributed parameter pipeline systems	16
An ontology for the design of emulsion-based cosmetic products: Development and applications	16
Pharmaceutical capacity expansion under uncertainty: Framework and models	16
Superstructure optimization models for regional coal industry development considering water resources constraints—A case study of Ordos, China	16
An Efficient Reinforcement Learning Approach to Optimal Control with Application to Biodiesel Production	16
Editorial Board	16
Dual-layer feature extraction based soft sensor methods and applications to industrial polyethylene processes	16
Assessment of Lagrangean decomposition for short-term planning of integrated refinery-petrochemical operations	16
Development of machine learning based model for low-temperature PEM fuel cells	16
Synthesis and assessment of waste-to-resource routes for circular economy	16
Control-aware batch process scheduling	15
Developing operational resilience within CO2 utilisation networks: Towards ensuring business continuity through risk management	15
The traveling deliveryman problem under uncertainty: Fundamentals for flexible supply chains	15
Improved prediction of biomass gasification models through machine learning	15
Coordination strategy based on hard-heuristics and price-updating scheme for copper smelting process	15
A novel framework for the identification of complex feasible space	15
Selectivity engineering with single-feed hybrid reactive distillation configurations: Complex reaction schemes having nonideal kinetics with/without inerts	15
Quantifying space-time load shifting flexibility in electricity markets	15
Modeling and multi-objective optimization of the digestion tank of an industrial process for manufacturing phosphoric acid by wet process	15
Hybrid quantum-classical multi-cut Benders approach with a power system application	15
A practical Reinforcement Learning implementation approach for continuous process control	15
Optimal scheduling for simultaneous refinery manufacturing and multi oil-product pipeline distribution	15
Algebraic surrogate-based flexibility analysis of process units with complicating process constraints	15
A perturbed Port-Hamiltonian approach for the stabilization of homogeneous reaction systems via the control of vessel extents	15
A Generalized Framework for Reactor Network Synthesis: A Graph Theoretic Approach	15
Fault detection and diagnosis for non-linear processes empowered by dynamic neural networks	15
Globally optimal distillation column design using set trimming and enumeration techniques	15
A workflow management system for reproducible and interoperable high-throughput self-driving experiments	15
Development of a deep learning-based group contribution framework for targeted design of ionic liquids	15
Electrification of CO2 conversion into chemicals and fuels: Gaps and opportunities in process systems engineering	14
Multivariate population balance modeling and simulation of ultrasound-assisted crystallization of a plate-type pharmaceutical: Nucleation, growth, and breakage	14
Identification of MIMO Wiener-type Koopman models for data-driven model reduction using deep learning	14
Handling Type-I and Type-II endogenous uncertainties in simultaneous production planning and condition-based maintenance optimization in continuous production	14
A new approach to building surrogate models of high-fidelity stochastic simulations: PARIN (PARameter as Input-variable)	14
A detailed MILP model and an ad hoc decomposition algorithm for the operational optimization of gas transport networks	14
Prediction of internal corrosion rate for gas pipeline: A new method based on transformer architecture	14
Reinforcement learning for soft sensor design through autonomous cross-domain data selection	14
Impact of kinetic models in the prediction accuracy of an industrial steam methane reforming unit	14
Multistage optimization of a petroleum production system with material balance model	14
Multi-fidelity data-driven design and analysis of reactor and tube simulations	14
Prediction of methane hydrate formation conditions in salt water using machine learning algorithms	14
A time series forecasting method for oil production based on Informer optimized by Bayesian optimization and the hyperband algorithm (BOHB)	14
Parallel hyper-heuristics for process engineering optimization	14
Unsupervised learning: Local and global structure preservation in industrial data	14
Data-driven distributionally robust optimization under combined ambiguity for cracking production scheduling	14