Computers & Chemical Engineering

Papers
(The TQCC of Computers & Chemical Engineering is 10. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-05-01 to 2025-05-01.)
ArticleCitations
A modular-hierarchical framework for the pressure-driven simulation of heat exchanger dynamics178
Simultaneous real-time estimation of maximum substrate uptake capacity and yield coefficient in induced microbial cultures118
Dual dynamic programming for multi-scale mixed-integer MPC110
Robust model predictive control with embedded multi-scenario closed-loop prediction100
A computationally efficient formulation of the governing equations for unit operation design90
A simulation-based model studying monoethanolamine and aprotic heterocyclic anion ionic liquid (AHA-IL) mixtures for carbon capture86
Closed-loop robust steady-state target calculation for model predictive control84
Two-stage chance-constrained programming based on Gaussian mixture model and piecewise linear decision rule for refinery optimization71
A decentralized control strategy for improved batch tablet coating process operation68
Hybrid modeling supported development of an industrial small-molecule flow chemistry process67
A stock border compensation technique for gaseous energy scheduling in steel enterprises under uncertainty58
Solution of large-scale supply chain models using graph sampling & coarsening53
Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty52
Optimal design of offshore wind power farm in high resolution using geographical information system51
Process plant layout optimization considering domino effects and safety devices in a large-scale chemical plant48
A MINLP approach to improve heat transfer in flat plates through the optimal distribution of nanoparticles47
Computers and chemical engineering virtual special issue in honor of Professor George Stephanopoulos47
Editorial Board46
A novel time discretization method for solving complex multi-energy system design and operation problems with high penetration of renewable energy45
An optimization-free Fisher information driven approach for online design of experiments44
A bilevel data-driven framework for robust optimization under uncertainty – applied to fluid catalytic cracking unit44
Sustainable retrofit of petrochemical energy systems under multiple uncertainties using the stochastic optimization method43
The economic study of centralised water reuse exchange system in the industrial park considering wastewater segregation43
COBALT: COnstrained Bayesian optimizAtion of computationaLly expensive grey-box models exploiting derivaTive information42
Taking advantage of order consolidation in simultaneous batching and scheduling of multiproduct batch plants41
Mathematical programming model for the optimal management of carbon intensity indicators in global supply chains41
A Process Intensification synthesis framework for the design of dividing wall column systems41
Applying and dissecting LSTM neural networks and regularized learning for dynamic inferential modeling41
Simulation-based optimization of distillation processes using an extended cutting plane algorithm41
Process evaluation for the separation of acetonitrile-water using extractive distillation with deep eutectic solvents as entrainers40
Multiperiod refinery optimization for mitigating the impact of process unit shutdowns39
Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks39
Environmental impacts of optimal designs of community energy systems under different CO2 footprints of electric grids39
Dynamic simulation and analysis of dichloromethane-acetone, dichloromethane-trichloromethane and dichloromethane-toluene VOC mixture abatement systems under transient feed conditions38
Comparative assessment of chloride family hydrogen production cycles driven by a nuclear-geothermal energy system38
Sunlight harvesting38
Physics Informed Piecewise Linear Neural Networks for Process Optimization38
Multiobjective temperature trajectory optimization for unseeded batch cooling crystallization of aspirin37
Advancing precision fermentation: Minimizing power demand of industrial scale bioreactors through mechanistic modelling37
Biomass waste-to-energy supply chain optimization with mobile production modules37
Random field optimization37
Modeling and optimization of ionic liquid-based carbon capture process using a thin-film unit37
Constrained model-free reinforcement learning for process optimization37
Mass and energy balance-assisted data-driven modeling and optimization of batch processes: The case of a batch polymerization process36
A novel state-of-health notion and its use for battery aging monitoring of zinc-air batteries36
Optimal scheduling of a large-scale power-to-ammonia process: Effects of parameter optimization on the indirect demand response potential36
Operability and biomimetic control of a micro-aerated fermentation process36
Process as a battery: Electricity price aware optimal operation of zeolite crystallization in a continuous oscillatory baffled reactor34
Integrated design of biopharmaceutical manufacturing processes: Operation modes and process configurations for monoclonal antibody production34
Computationally efficient battery model for microgrid applications using the Chebyshev spectral method34
Condition-based maintenance optimization for multi-equipment batch production system based on stochastic demand34
A new solution strategy for multiparametric quadratic programming34
Graph-to-SFILES: Control structure prediction from process topologies using generative artificial intelligence34
Real-time multivariate statistical monitoring of biopharmaceutical processes with no prior product-specific history34
Simultaneous design of macroalgae-based integrated biorefineries and their heat exchanger network34
Neural network models for atmospheric residue desulfurization using real plant data with novel training strategies34
Personalized medicine for GnRH antagonist protocol in in vitro fertilization procedure using modeling and optimal control33
Highly accelerated kinetic Monte Carlo models for depolymerisation systems33
A multilayered approach to scale-up forced convection-based freezing of human induced pluripotent stem cells33
Modeling phosphorous dynamics in a wastewater treatment process using Bayesian optimized LSTM32
Population balance modeling of flotation pulp: The route from process frequency functions to spatially distributed models32
Data-driven strategies for extractive distillation unit optimization32
Physiologically-based pharmacokinetic model for predicting blood and tissue tetrahydrocannabinol concentrations32
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 systems32
Investigation on modelling and identification of glucose management system for normal individual and diabetic patient31
Practical implementable controller design with guaranteed asymptotic stability for nonlinear systems31
A targeting algorithm for segregated heat integrated water allocation network31
Optimal continuous administration of drugs exhibiting tolerance: A modeling study for linear one compartment pharmacokinetics31
An ORP prediction model for acid wastewater sulfidation process based on improved extreme learning machine31
Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems31
Robust control of fed-batch high-cell density cultures: a simulation-based assessment31
Simulation of a flexible multi-vessel extraction plant with counter-current contacting between a solid substrate and supercritical CO230
Editorial Board29
Thermal imaging-based state estimation of a Stefan problem with application to cell thawing29
Optimal artificial neural network architecture design for modeling an industrial ethylene oxide plant28
Production of methanol from renewable sources in Mexico: Supply chain optimization28
A review of recent development in numerical simulation of ultrasonic-assisted gas-liquid mass transfer process28
Multivariable robust tube-based nonlinear model predictive control of mammalian cell cultures28
Long-term hybrid prediction method based on multiscale decomposition and granular computing for oxygen supply network27
Applications of machine learning in antibody discovery, process development, manufacturing and formulation: Current trends, challenges, and opportunities27
Calculation of solid-vapor equilibria for cryogenic carbon capture27
A hybrid dynamic model for the prediction of molten iron and slag quality indices of a large-scale blast furnace27
Multi-step lookahead Bayesian optimization with active learning using reinforcement learning and its application to data-driven batch-to-batch optimization27
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 ch26
A MILP-based approach to address the production and distribution planning of large industrial gas supply chains26
Data-driven and physics informed modeling of Chinese Hamster Ovary cell bioreactors26
Logic-Based Discrete-Steepest Descent: A solution method for process synthesis Generalized Disjunctive Programs26
A graph theoretic representation and analysis of zeolite frameworks26
A combined variational encoding and optimization framework for design of the water–energy–food nexus26
Harnessing graph neural networks to craft fragrances based on consumer feedback26
Piecewise linear approximation for MILP leveraging piecewise convexity to improve performance25
Crude oil price prediction: A comparison between AdaBoost-LSTM and AdaBoost-GRU for improving forecasting performance25
Surrogate-based optimization of capture chromatography platforms for the improvement of computational efficiency25
Hierarchical matrix completion for the prediction of properties of binary mixtures25
Multi-agent reinforcement learning-based exploration of optimal operation strategies of semi-batch reactors24
ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant24
Technical-economic evaluation of an energy-integrated temperature swing adsorption process for compressed air drying24
A reinforcement learning-based transformed inverse model strategy for nonlinear process control24
Integration of chemical process operation with energy, global market, and plant systems infrastructure24
Implementation of nonlinear variable-cost network optimization models for technology assessment in the petrochemicals industry24
Novel formulations of flexibility index and design centering for design space definition24
Coordinated allocation production routing problem for mobile supply chains with shared factories24
Model-based reinforcement learning and predictive control for two-stage optimal control of fed-batch bioreactor24
Physics-informed recurrent neural networks and hyper-parameter optimization for dynamic process systems24
A successive substitution approach with embedded phase stability for simultaneous chemical and phase equilibrium calculations23
Simulation tools for net-positive process design: Trees as unit operations for carbon sequestration and air quality regulation23
Model predictive control of purple bacteria in raceway reactors: Handling microbial competition, disturbances, and performance23
Control of side-stream pressure-swing distillation and extractive distillation for separating azeotropic mixture of cyclohexane and acetone23
Operating condition design with a Bayesian optimization approach for pharmaceutical intermediate batch concentration23
Hierarchical heat transfer modeling of a continuous millireactor23
A novel multi-operation sequencing formulation for the crude oil scheduling problem with restricted overlapping constraints23
CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways23
A dynamic model of tablet film coating processes for control system design22
Reducing carbon emissions in cement production through solarization of the calcination process and thermochemical energy storage22
Data-driven supply chain monitoring using canonical variate analysis22
Improved design of heat-pump extractive distillation based on the process optimization and multi-criteria sustainability analysis22
Enhancing fault detection in multivariate industrial processes: Kolmogorov–Smirnov non-parametric statistical approach22
A hybrid clustering approach integrating first-principles knowledge with data for fault detection in HVAC systems22
Learning and optimization under epistemic uncertainty with Bayesian hybrid models21
Robust machine learning modeling for predictive control using Lipschitz-Constrained Neural Networks21
Simultaneous optimization of the design of the product, process, and supply chain for formulated product21
Demand response scheduling of copper production under short-term electricity price uncertainty21
Thermal runaway avoidance using Hamilton–Jacobi reachability and model predictive control21
Machine learning in process systems engineering: Challenges and opportunities21
A feasible path-based approach for Dividing Wall Column design procedure20
A Systematic Literature review for the rig scheduling problem: Classification and state-of-the-art20
Resilience assessment of the downstream oil supply chain considering the inventory strategy in extreme weather events20
Combinatorial Order Pre-processing Search (COPS): A new pre-processing strategy for large-scale interpretable data analysis in process analytical technologies20
Learning from fluorescence: A tool for online multiparameter monitoring of a microalgae culture20
Normalizing flow-based day-ahead wind power scenario generation for profitable and reliable delivery commitments by wind farm operators20
An implicit function formulation for optimization of discretized index-1 differential algebraic systems20
Comparative life cycle assessment of industrial demand-side management via operational optimization20
Quasi-Newton extremum seeking control based on incremental recursive identification19
Non-myopic Bayesian optimization using model-free reinforcement learning and its application to optimization in electrochemistry19
Computational fluid dynamics modeling of a discrete feed atomic layer deposition reactor: Application to reactor design and operation19
Multi-objective optimization and algorithm improvement on thermal coupling of SOFC-GT-ORC integrated system19
A robust optimization model for tactical planning of the forest-based biomass supply chain for syngas production19
Robust-optimization-guiding deep reinforcement learning for chemical material production scheduling19
Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis19
Design space identification of a coupled two-stage batch reactor system19
Knowledge-enhanced data-driven modeling of wastewater treatment processes for energy consumption prediction19
Two-stage distributionally robust optimization for maritime inventory routing19
Flexible networks to promote the development of industrial symbioses: A new optimization procedure19
Online detrended fluctuation analysis and improved empirical wavelet transform for real-time oscillations detection in industrial control loops19
Graph neural networks for CO219
Integrated scheduling of the drying process in a sawmill19
Designing a resilient medical laboratory service network under disruption and uncertainty: A case study19
Reduced-order Koopman modeling and predictive control of nonlinear processes19
Decarbonizing ethanol production via gas fermentation: Impact of the CO/H2/CO2 mix source on greenhouse gas emissions and production costs19
Applications of augmented reality (AR) in chemical engineering education: Virtual laboratory work demonstration to digital twin development19
Modeling biogas production from anaerobic wastewater treatment plants using radial basis function networks and differential evolution18
An extended Tennessee Eastman simulation dataset for fault-detection and decision support systems18
Integrating machine learning detection and encrypted control for enhanced cybersecurity of nonlinear processes18
Dynamic optimization on quantum hardware: Feasibility for a process industry use case18
Modeling of bioprocesses via MINLP-based symbolic regression of S-system formalisms18
Identifying Key Drivers for a National Transition to Low Carbon Energy using Agent-based Supply Chain Models18
A novel zone-based machine learning approach for the prediction of the performance of industrial flares18
Multi-source heterogeneous data integration for incident likelihood analysis18
Machine learning aided model predictive control with multi-objective optimization and multi-criteria decision making18
Process design for plastic waste pyrolysis: Yield analysis and economic assessment18
A hybrid modelling approach to model process dynamics by the discovery of a system of partial differential equations18
Reinforcement learning approach to autonomous PID tuning18
Constrained continuous-action reinforcement learning for supply chain inventory management18
Feature selection-based machine learning modeling for distributed model predictive control of nonlinear processes18
Gas dispersion modeling in stereoscopic space with obstacles using a novel spatiotemporal prediction network18
A multicut generalized benders decomposition approach for the integration of process operations and dynamic optimization for continuous systems18
An integrated approach for modeling and identification of perfusion bioreactors via basis flux modes17
Digital twins in process engineering: An overview on computational and numerical methods17
Editorial Board17
A Nested Schur decomposition approach for multiperiod optimization of chemical processes17
Systematic design of pulse dosing to eradicate persister bacteria: The case of fluoroquinolones17
Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling17
Dynamic simulation and control of dual-evaporator compression refrigeration systems17
Integreted strategic and tactical optimization planning of biomass to bioethanol supply chains coupled with operational plan using vehicle routing: A case study in Ethiopia17
Deterministic mathematical modeling, sensitivity analysis, and dynamic optimization of cross-flow ultrafiltration systems for concentration of monoclonal antibody solutions17
Deeppipe: a customized generative model for estimations of liquid pipeline leakage parameters17
Scaling up machine learning-based chemical plant simulation: A method for fine-tuning a model to induce stable fixed points17
Scheduling-based method for estimating remaining capacity of oil product pipeline under the fair opening17
A dynamic-inner convolutional autoencoder for process monitoring17
Physics-based Penalization for Hyperparameter Estimation in Gaussian Process Regression17
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 drifts17
Refinery planning optimization based on smart predict-then-optimize method under exogenous price uncertainty17
Design of switching multilinear model predictive control using gap metric17
Simultaneous design of discrete-time inverse response predictor control systems17
Model-based safe reinforcement learning for nonlinear systems under uncertainty with constraints tightening approach17
Integrating stochastic programming and reliability in the optimal synthesis of chemical processes17
Nonlinear programming reformulation of dynamic flux balance analysis models17
Hypothetical yet effective: Computational identification of high-performing MOFs for CO2 capture17
Techno-economic analysis of a combined power plant CO2 capture and direct air capture concept for flexible power plant operation17
Development of machine learning based model for low-temperature PEM fuel cells16
Corrigendum to ’Data-driven crude oil scheduling optimization with a distributionally robust joint chance constraint under multiple uncertainties’ [Computers and Chemical Engineering 171 (2023) 10815616
Predictive precision in battery recycling: unveiling lithium battery recycling potential through machine learning16
A CFD model-based design of seeding processes for two-dimensional mesenchymal stem cell cultivation16
Optimization approaches to design water-energy-food nexus: A litterature review16
Direct learning of improved control policies from historical plant data16
CrystalGPT: Enhancing system-to-system transferability in crystallization prediction and control using time-series-transformers16
Fault detection and diagnosis for non-linear processes empowered by dynamic neural networks16
Direct single shooting for dynamic optimization of differential-algebraic equation systems with optimization criteria embedded16
Optimized CFD modelling and validation of radiation section of an industrial top-fired steam methane reforming furnace16
Offline reinforcement learning based feeding strategy of ethylene cracking furnace16
Integration of process knowledge and statistical learning for the Dow data challenge problem16
From partial data to out-of-sample parameter and observation estimation with diffusion maps and geometric harmonics16
A virtual screening framework based on the binding site selectivity for small molecule drug discovery16
Performance modeling of Allam cycle integrated with a cryogenic air separation process16
The traveling deliveryman problem under uncertainty: Fundamentals for flexible supply chains15
Flexibility and environmental assessment of process-intensified design solutions: A DWC case study15
Integration of feedback control and run-to-run control for plasma enhanced atomic layer deposition of hafnium oxide thin films15
Dual-layer feature extraction based soft sensor methods and applications to industrial polyethylene processes15
Editorial Board15
Editorial Board15
Editorial Board15
Quantifying space-time load shifting flexibility in electricity markets15
Globally optimal distillation column design using set trimming and enumeration techniques15
A new approach for reliability modeling in green closed-loop supply chain design under post-pandemic conditions: A case study15
A Generalized Framework for Reactor Network Synthesis: A Graph Theoretic Approach15
Editorial Board15
An ontology for the design of emulsion-based cosmetic products: Development and applications15
Editorial Board15
Assessment of Lagrangean decomposition for short-term planning of integrated refinery-petrochemical operations14
Superstructure optimization models for regional coal industry development considering water resources constraints—A case study of Ordos, China14
Development of a deep learning-based group contribution framework for targeted design of ionic liquids14
Optimal scheduling for simultaneous refinery manufacturing and multi oil-product pipeline distribution14
Distributing Chemical Reactions between Cell Populations: Exemplar Studies14
A workflow management system for reproducible and interoperable high-throughput self-driving experiments14
Pharmaceutical capacity expansion under uncertainty: Framework and models14
Data augmentation for forecasting industrial aging processes via conditional multimodal generative time-series models14
Hybrid quantum-classical multi-cut Benders approach with a power system application14
Pricing and remunerating electricity storage flexibility using virtual links14
A practical Reinforcement Learning implementation approach for continuous process control14
Algebraic surrogate-based flexibility analysis of process units with complicating process constraints14
Editorial Board14
Improved prediction of biomass gasification models through machine learning14
A tray-by-tray method for the conceptual design of dividing wall columns14
Synthesis and assessment of waste-to-resource routes for circular economy14
Tracking model predictive control and moving horizon estimation design of distributed parameter pipeline systems14
An Efficient Reinforcement Learning Approach to Optimal Control with Application to Biodiesel Production14
Modeling and multi-objective optimization of the digestion tank of an industrial process for manufacturing phosphoric acid by wet process14
Developing operational resilience within CO2 utilisation networks: Towards ensuring business continuity through risk management14
A novel framework for the identification of complex feasible space14
Explainability: Relevance based dynamic deep learning algorithm for fault detection and diagnosis in chemical processes13
Combining multi-fidelity modelling and asynchronous batch Bayesian Optimization13
Prediction of methane hydrate formation conditions in salt water using machine learning algorithms13
A study on comparative environmental impact assessment of thermochemical cycles and steam methane reforming processes for hydrogen production processes13
Multistage optimization of a petroleum production system with material balance model13
Impact of kinetic models in the prediction accuracy of an industrial steam methane reforming unit13
Unsupervised learning: Local and global structure preservation in industrial data13
Model predictive control and moving horizon estimation for adaptive optimal bolus feeding in high-throughput cultivation of E. coli13
Identification of MIMO Wiener-type Koopman models for data-driven model reduction using deep learning13
Modeling and simulation of a steam-selective membrane reactor for power-to-methanol13
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