Computers & Chemical Engineering

Article	Citations
An evolutionary study on technologies for polyethylene terephthalate waste recycling using natural language processing	180
Optimal chemical reaction pathway for palm process residue recovery using Process Graph (P-graph) framework	171
Closed-loop identification of MIMO systems: An excitation-free approach	114
Success-Based Optimization Algorithm (SBOA): Development and enhancement of a metaheuristic optimizer	108
A two-echelon sustainable multi-route location routing problem for biomass supply chain network design considering disruption	102
Quality-driven Gaussian mixture variational probabilistic network for soft sensor application in PET/PA6 polymerization process	100
Simultaneous real-time estimation of maximum substrate uptake capacity and yield coefficient in induced microbial cultures	88
The optimal experiment? Influence of solution strategies on model-based optimal experimental design	81
A Novel Weighted Data-Driven Robust Optimization Approach for Creating Adjustable Uncertainty Sets	80
A multi-objective robust scenario-based stochastic chance constrained programming model for sustainable closed-loop agri-food supply chain	66
Optimal sensor placement for contamination detection and identification in water distribution networks under demand uncertainty	66
Retraction notice to “Economic, reliability, environmental and operation factors to achieve optimal operations of multiple microgrids” [Computers & Chemical Engineering 176 (2023) 108279]	65
A risk-based maintenance planning in process industry using a bi-objective robust optimization model	55
Optimal contract selection for contract manufacturing organizations in the secondary pharmaceutical industry	51
Design and implementation of an Autonomous Systems Training Environment framework for control algorithm evaluation in autonomous plant operation	49
Linear hybrid models of distillation towers	48
Taking advantage of order consolidation in simultaneous batching and scheduling of multiproduct batch plants	46
Connected mechanistic process modeling to predict a commercial biopharmaceutical downstream process	45
Graph neural networks with molecular segmentation for property prediction and structure–property relationship discovery	44
Multi-fidelity data-driven design and analysis of reactor and tube simulations	43
A recurrent reinforcement learning strategy for optimal scheduling of partially observable job-shop and flow-shop batch chemical plants under uncertainty	43
Advancing precision fermentation: Minimizing power demand of industrial scale bioreactors through mechanistic modelling	43
Deep weighted joint distribution adaption network for fault diagnosis of blast furnace ironmaking process	42
Design and application of data driven economic model predictive control for a rotational molding process	41
A modular-hierarchical framework for the pressure-driven simulation of heat exchanger dynamics	41

Importance of pressure-selection in pressure-swing distillation	40
Handling Type-I and Type-II endogenous uncertainties in simultaneous production planning and condition-based maintenance optimization in continuous production	40
Evaluating the potential for optimization of axial back-mixing in continuous pharmaceutical manufacturing	40
Formulations for automatic optimization of decommissioning timing in offshore oil and gas field development planning	40
A novel time discretization method for solving complex multi-energy system design and operation problems with high penetration of renewable energy	39
A detailed MILP model and an ad hoc decomposition algorithm for the operational optimization of gas transport networks	39
Early detection of closed-loop slugging patterns in offshore oil wells with unsupervised learning approaches	39
An integrated reinforcement learning framework for simultaneous generation, design, and control of chemical process flowsheets	37
Anomaly detection for drug product manufacturing considering data limitations and shifts: A case study on industrial freeze-dryers	37
A Comparison of Strategies to Embed Physics-Informed Neural Networks in Nonlinear Model Predictive Control Formulations Solved via Direct Transcription	37
A Process Intensification synthesis framework for the design of dividing wall column systems	36
Challenges and opportunities of Solar thermal energy towards a sustainable chemical industry	36
Biomass waste-to-energy supply chain optimization with mobile production modules	36
A grid view on the dynamics of processes participating in demand response programs	36
Nonlinear observer for online concentration estimation in vanadium flow batteries based on half-cell voltage measurements	35
Optimal design of ethylene and propylene coproduction plants with generalized disjunctive programming and state equipment network models	35
Discovering governing partial differential equations from noisy data	34
Optimal design of controlled environment agricultural systems under market uncertainty	34
A flow alignment-informed method for compartmental modelling	34
Computers and chemical engineering virtual special issue in honor of Professor George Stephanopoulos	34
The water energy food nexus: A multi-objective optimization tool	34
Diagnosis of linear programming supply chain optimization models: Detecting infeasibilities and minimizing changes for new parameter values	34
Enhancing heteroazeotropic distillation thermodynamic flexibility boundaries by means of condenser overcooling	33
On improving the efficiency of modifier adaptation via directional information	33
Sparse Bayesian long short-term memory networks for computationally efficient stochastic modeling of plasma etch processes	33
Synthesis of multiperiod heat exchanger networks: Minimum utility consumption in each period	33
Reduced order modeling for compressible cake filtration processes using proper orthogonal decomposition	33
Boosting operational optimization of multi-energy systems by artificial neural nets	33
Multistage optimization of a petroleum production system with material balance model	33
Editorial Board	32
Simultaneous deterministic global flowsheet optimization and heat integration: Comparison of formulations	32
Global sensitivity analysis for a perfusion bioreactor based on CFD modelling	32
Sensitivity analysis and optimization to reduce dry weight and footprint of FPSO processing plants in a high CO2 oil field	32
Environmental impacts of optimal designs of community energy systems under different CO2 footprints of electric grids	31
Price-based coordination strategy for copper smelting process	31
Editorial Board	31
Fast, easy-to-use, machine learning-developed models of prediction of flash point, heat of combustion, and lower and upper flammability limits for inherently safer design	31
Design of a control system for rotating equipment	31
Data-driven distributionally robust optimization under combined ambiguity for cracking production scheduling	30
Efficient computational strategies for a mathematical programming model for multi-echelon inventory optimization based on the guaranteed-service approach	30
Editorial Board	30
Novel classification of multistage flash desalination via finite and infinite flashing: Investigating thermofluid dynamics under varying inlet flow rates employing validated multiphase CFD simulations	30
Erratum: A sharp cut algorithm for optimization	30
Zero-order moving horizon estimation for large-scale nonlinear processes	30
A rolling horizon approach for scheduling of multiproduct batch production and maintenance using generalized disjunctive programming models	29
A MINLP approach to improve heat transfer in flat plates through the optimal distribution of nanoparticles	29
Pooling problems under perfect and imperfect competition	28
Editorial Board	28
Editorial Board	28
Editorial Board	28

Structured nonlinear process modeling using neural networks and application to economic optimization	28
Mathematical programming model for the optimal management of carbon intensity indicators in global supply chains	27
Power-to-X processes based on PEM water electrolyzers: A review of process integration and flexible operation	27
Process safety consequence modeling using artificial neural networks for approximating heat exchanger overpressure severity	27
Design of low-carbon multi-energy systems in the SecMOD framework by combining MILP optimization and life-cycle assessment	27
A study on comparative environmental impact assessment of thermochemical cycles and steam methane reforming processes for hydrogen production processes	27
Comparing optimization schemes for solving case studies with multiple heat exchangers using high-order pinch point temperature difference methods	27
Kernel distributionally robust chance-constrained process optimization	27
Optimal design of offshore wind power farm in high resolution using geographical information system	26
Agile process systems engineering education: What to teach, and how to teach	26
Process plant layout optimization considering domino effects and safety devices in a large-scale chemical plant	26
Multistage adaptive stochastic mixed integer optimization through piecewise decision rule approximation	25
Nonlinear state and parameter estimation using derivative information: A Lie-Sobolev approach	25
Modelling and diagnostics of process faults in continuous pulp digesters	25
Data driven performance monitoring and retuning using PID controllers	25
Lexicographic model predictive control strategy in ageing-aware optimal charging procedure for lithium-ion batteries	25
Development of a digital twin for a flexible air separation unit using a pressure-driven simulation approach	24
Mean squared error criterion for model-based design of experiments with subset selection	24
Robust model predictive control with embedded multi-scenario closed-loop prediction	24
Bayesian optimization with reference models: A case study in MPC for HVAC central plants	24
Approximate moving horizon estimation and robust nonlinear model predictive control via deep learning	24
Impact of kinetic models in the prediction accuracy of an industrial steam methane reforming unit	24
Towards demand-side management of the chlor-alkali electrolysis: Dynamic modeling and model validation	24
Projection-based robust optimization with symbolic computation	23
Control-aware batch process scheduling	23
Process evaluation for the separation of acetonitrile-water using extractive distillation with deep eutectic solvents as entrainers	23
Constrained model-free reinforcement learning for process optimization	23
A perturbed Port-Hamiltonian approach for the stabilization of homogeneous reaction systems via the control of vessel extents	23
Discrete-time contraction-based control of nonlinear systems with parametric uncertainties using neural networks	22
Multi-objective optimization of an integrated biomass waste fixed-bed gasification system for power and biochar co-production	22
Random field optimization	22
Natural gas maximal load delivery for multi-contingency analysis	22
Integrated spatially explicit landscape and cellulosic biofuel supply chain optimization under biomass yield uncertainty	22
Solution of large-scale supply chain models using graph sampling & coarsening	21
Identification of MIMO Wiener-type Koopman models for data-driven model reduction using deep learning	21
Harmonizing the use of optimization and feedback in process operations and control	21
Combining multi-fidelity modelling and asynchronous batch Bayesian Optimization	21
Profitability related industrial-scale batch processes monitoring via deep learning based soft sensor development	21
Hybrid modeling supported development of an industrial small-molecule flow chemistry process	21
Revised learning based evolutionary assistive paradigm for surrogate selection (LEAPS2v2)	21
Performance limits of neural networks for optimizing an adsorption process for hydrogen purification and CO2 capture	21
Set-based fault diagnosis for uncertain nonlinear systems	21
Optimal operation of a natural gas sweetening plant	20
Multi-criteria decision-making framework for selection of surfactant-free microemulsion fuels as a sustainable diesel alternative	20
A process systems engineering view of environmental impact assessment in renewable and sustainable energy production: Status and perspectives	20
Safe chance constrained reinforcement learning for batch process control	20
Data-driven parameterization and development of mechanistic cell cultivation models in monoclonal antibody production processes: Shifts in cell metabolic behavior	20
Adaptive cascade enhancement broad learning system combined with stacked correlation information autoencoder for soft sensor modeling of industrial process	20
Sunlight harvesting	19
Multi-objective optimization under parametric uncertainty: A Pareto ellipsoids-based algorithm	19
ESTAN—A toolbox for standardized and effective global sensitivity-based estimability analysis	19
Multivariate population balance modeling and simulation of ultrasound-assisted crystallization of a plate-type pharmaceutical: Nucleation, growth, and breakage	19
Machine learning-based surrogate models and transfer learning for derivative free optimization of HT-PEM fuel cells	19
A computationally efficient formulation of the governing equations for unit operation design	19
Convex Envelope Method for determining liquid multi-phase equilibria in systems with arbitrary number of components	19
Supply chain design and planning for the carpet industry considering recycling processes	19
Integrating quantum and classical computing for multi-energy system optimization using Benders decomposition	19
Advancing machine learning in Industry 4.0: Benchmark framework for rare-event prediction in chemical processes	19
Zonewise surrogate-based optimization of box-constrained systems	19
Electrification of CO2 conversion into chemicals and fuels: Gaps and opportunities in process systems engineering	19
A generic superstructure modeling and optimization framework on the example of bi-criteria Power-to-Methanol process design	19
Dynamic simulation and analysis of dichloromethane-acetone, dichloromethane-trichloromethane and dichloromethane-toluene VOC mixture abatement systems under transient feed conditions	19
Enhancing pharmaceutical supply chain resilience: A multi-objective study with disruption management	19
A decision support system for cooling tower technologies evaluation in the oil and gas industry	19
Dynamic modelling, simulation and theoretical performance analysis of Volatile Organic Compound (VOC) abatement systems in the pharma industry	19
Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks	19
Holistic process control framework for smart biomanufacturing: A deep learning driven approach	19
Unraveling the effect of variable natural gas feedstock on an industrial ammonia process	18
Global minimization of power consumptions for multicomponent gas membrane cascades	18
Performance evaluation and boron rejection in a SWRO system under variable operating conditions	18
Two-stage chance-constrained programming based on Gaussian mixture model and piecewise linear decision rule for refinery optimization	18
Global flowsheet optimization for reductive dimethoxymethane production using data-driven thermodynamic models	18
Methodology for hyperparameter tuning of deep neural networks for efficient and accurate molecular property prediction	18
Simultaneous integration of heat pumps and different thermal energy storages into a tightened multi-period MILP HENS superstructure formulation for industrial applications	18
A simulation-based model studying monoethanolamine and aprotic heterocyclic anion ionic liquid (AHA-IL) mixtures for carbon capture	18
Global self-optimizing control with active-set changes: A polynomial chaos approach	18
Improved manifold sparse slow feature analysis for process monitoring	18
Optimization strategies for produced water networks with integrated desalination facilities	18
A framework for the development of Pedagogical Process Simulators (P2Si) using explanatory models and gamification	18
An iterative constrained least squares method for continuous piecewise linear approximation	18

Handling noisy data in sparse model identification using subsampling and co-teaching	18
A bilevel data-driven framework for robust optimization under uncertainty – applied to fluid catalytic cracking unit	17
A hierarchical granger causality analysis framework based on information of redundancy for root cause diagnosis of process disturbances	17
Analysis of time-varying cause-effect relations based on qualitative trends and change amplitudes	17
SI-M/O: Swarm Intelligence-based Modeling and Optimization of complex synthesis reaction processes	17
An optimization-free Fisher information driven approach for online design of experiments	17
Deep learning model predictive control of a high-density polyethylene reactor with a physics-guided sequence-to-sequence model with memory	17
Bidirectional inventory control with optimal use of intermediate storage	17
Integration of design and NMPC-based control for chemical processes under uncertainty: An MPCC-based framework	17
Surrogate-based optimisation of process systems to recover resources from wastewater	17
Closed-loop robust steady-state target calculation for model predictive control	17
Reinforcement learning for soft sensor design through autonomous cross-domain data selection	17
A stock border compensation technique for gaseous energy scheduling in steel enterprises under uncertainty	17
Evaluating the economic and environmental benefits of deploying a national-scale, thermo-chemical plastic waste upcycling infrastructure in the United States	17
Fault diagnosis of a semi-batch crystallization process through deep learning method	17
Dual dynamic programming for multi-scale mixed-integer MPC	17
A novel adaptive generic model control strategy for internal thermally coupled air separation columns with multivariable recursive estimation	17
A switched system approach for the direct solution of singular optimal control problems	17
Evaluating subgradients for convex relaxations of dynamic process models by adapting current tools	17
Production rescheduling via explorative reinforcement learning while considering nervousness	17
A decentralized control strategy for improved batch tablet coating process operation	17
Scheduling optimization and risk analysis for energy-intensive industries under uncertain electricity market to facilitate financial planning	17
Optimal control of a rate-based modelled batch distillation column: Initialization strategy	16
Cryptographic protocol for privacy-preserving integration of HAZOPs in modular process plants	16
Spatial discontinuous Galerkin spectral element method for a family of chromatography models in CADET	16
Enhanced Cascade Table Analysis to target and design multi-constraint resource conservation networks	16
PAT soft sensors for wide range prediction of key properties of diesel fuels and blending components for the oil industry	16
Physics Informed Piecewise Linear Neural Networks for Process Optimization	16
Deep learning-based burst location with domain adaptation across different sensors in water distribution networks	16
Multiperiod refinery optimization for mitigating the impact of process unit shutdowns	16
Applying and dissecting LSTM neural networks and regularized learning for dynamic inferential modeling	16
Real-time plume tracking using transfer learning approach	16
Refinery production planning optimization under crude oil quality uncertainty	16
A new approach to building surrogate models of high-fidelity stochastic simulations: PARIN (PARameter as Input-variable)	16
Bayesian optimization for quick determination of operating variables of simulated moving bed chromatography	16
Optimal control in chemical engineering: Past, present and future	16
Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty	15
A method to bridge energy and process system optimization: Identifying the feasible operating space for a methanation process in power-to-gas energy systems	15
SUSIE: Pharmaceutical CMC ontology-based information extraction for drug development using machine learning	15
Model predictive control and moving horizon estimation for adaptive optimal bolus feeding in high-throughput cultivation of E. coli	15
Technoeconomic evaluation of post-combustion carbon capture technologies on-board a medium range tanker	15
Fouling control and modeling in reverse osmosis for seawater desalination: A review	15
Model-based workflow for sustainable production of high-quality spirits in packed column stills	15
DRPADC: A novel drug repositioning algorithm predicting adaptive drugs for COVID-19	15
Investigation of the factors affecting reverse osmosis membrane performance using machine-learning techniques	15
Challenges and opportunities in carbon capture, utilization and storage: A process systems engineering perspective	15
RD-toolbox: A computer aided toolbox for integrated design and control of reactive distillation processes	15
Explainability: Relevance based dynamic deep learning algorithm for fault detection and diagnosis in chemical processes	15
Modeling and simulation of a steam-selective membrane reactor for power-to-methanol	15
Safety-driven design of carbon capture utilization and storage (CCUS) supply chains: A multi-objective optimization approach	15
Sustainable retrofit of petrochemical energy systems under multiple uncertainties using the stochastic optimization method	15
Perspectives on the integration between first-principles and data-driven modeling	15
Stacked complex sequences for ternary zeotropic distillation	15
Pyosyn: A new framework for conceptual design modeling and optimization	15
Identifiability methods for biological systems: Determining subsets of parameters through sensitivity analysis, penalty-based optimisation, profile likelihood and LASSO model reduction	14
A Spectral AutoML approach for industrial soft sensor development: Validation in an oil refinery plant	14
COBALT: COnstrained Bayesian optimizAtion of computationaLly expensive grey-box models exploiting derivaTive information	14
Conceptual design of furfural extraction, oxidative upgrading and product recovery: COSMO-RS-based process-level solvent screening	14
Composting time minimization of mature vermicompost using desirability and response surface methodology approach	14
Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids	14
Prediction of methane hydrate formation conditions in salt water using machine learning algorithms	14
Comparative assessment of chloride family hydrogen production cycles driven by a nuclear-geothermal energy system	14
Environmental impacts of the future German energy system from integrated energy systems optimization and dynamic life cycle assessment	14
Surrogate modeling based uncertainties analysis for the determination of safe and optimal operating conditions in batch reactors	14
A computational modelling approach based on the ‘Energy - Water - Food nexus node’ to support decision-making for sustainable and resilient food security	14
Simulation-based optimization of distillation processes using an extended cutting plane algorithm	14
Data-driven optimization of mixed-integer bi-level multi-follower integrated planning and scheduling problems under demand uncertainty	14
Improved SQP and SLSQP algorithms for feasible path-based process optimisation	13
Multi-objective inverse design of finned heat sink system with physics-informed neural networks	13
The economic study of centralised water reuse exchange system in the industrial park considering wastewater segregation	13
Resilience assessment of chemical processes using operable adaptive sparse identification of systems	13
A targeting algorithm for segregated heat integrated water allocation network	13
Importing participatory practices of the socio-environmental systems community to the process system engineering community: An application to supply chain	13
Editorial Board	13
Investigation on modelling and identification of glucose management system for normal individual and diabetic patient	13
On the use of machine learning to generate in-silico data for batch process monitoring under small-data scenarios	13
Time-series clustering approach for training data selection of a data-driven predictive model: Application to an industrial bio 2,3-butanediol distillation process	13
Machine learning & conventional approaches to process control & optimization: Industrial applications & perspectives	13
Parameter estimation of partial differential equations using artificial neural network	13
Solving the Unit Commitment and Economic Dispatch Problems by Applying a Novel Weighted Decomposition Method	13
Editorial Board	13
An exact algorithm for calculating the minimum and feasible ranges of cycle time in periodic scheduling with shared resources	13
Editorial Board	13
A robust inventory management in dynamic supply chains using an adaptive model-free control	13
Multi-target regression via target combinations using principal component analysis	13
Unsupervised learning: Local and global structure preservation in industrial data	13
Solvent Selection, Sustainability Analysis & Technoeconomic Evaluation and Optimisation of Batch Cooling Crystallisation Processes for Flurbiprofen Production	13
Parallel hyper-heuristics for process engineering optimization	13
Cost-optimal pathways towards net-zero chemicals and plastics based on a circular carbon economy	13
Analysing the impact of stakeholder relationships in the optimisation of biomass supply chains	13
Predicting octane numbers relying on principal component analysis and artificial neural network	13
Reality versus simulation-implementation of heat exchangers with phase changes	13
Editorial Board	13
Some of the variables, some of the parameters, some of the times, with some physics known: Identification with partial information	13
A methodology for propellant composition optimization in aerosol consumer products, considering economic, safety, and environmental objectives	13