Computers & Chemical Engineering

Article	Citations
Process systems engineering – The generation next?	151
Recent trends on hybrid modeling for Industry 4.0	139
Crude oil price prediction: A comparison between AdaBoost-LSTM and AdaBoost-GRU for improving forecasting performance	97
Green hydrogen for industrial sector decarbonization: Costs and impacts on hydrogen economy in qatar	97
An analysis of process fault diagnosis methods from safety perspectives	94
Recent developments on sewage sludge pyrolysis and its kinetics: Resources recovery, thermogravimetric platforms, and innovative prospects	86
A review on robust M-estimators for regression analysis	86
Reinforcement learning based optimal control of batch processes using Monte-Carlo deep deterministic policy gradient with phase segmentation	73
Power-to-X: A review and perspective	66
Perspectives on the integration between first-principles and data-driven modeling	65
A tutorial review of neural network modeling approaches for model predictive control	60
Reinforcement learning approach to autonomous PID tuning	59
Performance prediction of trace metals and cod in wastewater treatment using artificial neural network	59
Air catalytic biomass (PKS) gasification in a fixed-bed downdraft gasifier using waste bottom ash as catalyst with NARX neural network modelling	57
Real-time optimization using reinforcement learning	53
An extended Tennessee Eastman simulation dataset for fault-detection and decision support systems	51
Challenges and opportunities in carbon capture, utilization and storage: A process systems engineering perspective	49
One step forward for smart chemical process fault detection and diagnosis	45
Risk-based fault prediction of chemical processes using operable adaptive sparse identification of systems (OASIS)	43
Quantum computing assisted deep learning for fault detection and diagnosis in industrial process systems	42
Modeling and simulation for design and analysis of membrane-based separation processes	41
Fast approximate learning-based multistage nonlinear model predictive control using Gaussian processes and deep neural networks	41
Biomass waste-to-energy supply chain optimization with mobile production modules	39
The water-energy-food-land nexus at the sugarcane-to-bioenergy supply chain: A sustainable network design model	37
Modeling phosphorous dynamics in a wastewater treatment process using Bayesian optimized LSTM	36

Prediction of methane hydrate formation conditions in salt water using machine learning algorithms	36
Multiscale modeling of dendrite formation in lithium-ion batteries	36
Multiscale modeling and control of pulp digester under fiber-to-fiber heterogeneity	35
Environmental impacts of the future German energy system from integrated energy systems optimization and dynamic life cycle assessment	35
Smart process analytics for predictive modeling	35
Multi objective optimization of MSF and MSF-TVC desalination systems with using the surplus low-pressure steam (an energy, exergy and economic analysis)	34
Fouling control and modeling in reverse osmosis for seawater desalination: A review	34
A hybrid modeling approach integrating first-principles knowledge with statistical methods for fault detection in HVAC systems	33
Bayesian optimization with reference models: A case study in MPC for HVAC central plants	33
Comparative analysis of conventional steam methane reforming and PdAu membrane reactor for the hydrogen production	33
Cost-optimal pathways towards net-zero chemicals and plastics based on a circular carbon economy	33
Improved design of heat-pump extractive distillation based on the process optimization and multi-criteria sustainability analysis	32
Explainability: Relevance based dynamic deep learning algorithm for fault detection and diagnosis in chemical processes	32
Novel resilient-sustainable strategies for second-generation biofuel network design considering Neem and Eruca Sativa under hybrid stochastic fuzzy robust approach	32
ENTMOOT: A framework for optimization over ensemble tree models	31
Development of process safety knowledge graph: A Case study on delayed coking process	31
A hybrid dynamic model for the prediction of molten iron and slag quality indices of a large-scale blast furnace	31
CrystalGPT: Enhancing system-to-system transferability in crystallization prediction and control using time-series-transformers	31
Modeling and multi-objective optimization of integrated MED–TVC desalination system and gas power plant for waste heat harvesting	31
Performance evaluation and boron rejection in a SWRO system under variable operating conditions	31
Optimization approaches to design water-energy-food nexus: A litterature review	31
Using ATR-FTIR spectra and convolutional neural networks for characterizing mixed plastic waste	31
Real-Time optimization as a feedback control problem – A review	30
Optimal design of a hybrid renewable energy system with grid connection and comparison of techno-economic performances with an off-grid system: A case study of West China	30
Detection and root cause analysis of multiple plant-wide oscillations using multivariate nonlinear chirp mode decomposition and multivariate Granger causality	30
Topological data analysis: Concepts, computation, and applications in chemical engineering	30
Performance modeling of Allam cycle integrated with a cryogenic air separation process	30
Model-based reinforcement learning and predictive control for two-stage optimal control of fed-batch bioreactor	30
Stochastic optimization model for coordinated operation of natural gas and electricity networks	30
Real-time optimization meets Bayesian optimization and derivative-free optimization: A tale of modifier adaptation	29
Designing and planning the downstream oil supply chain under uncertainty using a fuzzy programming approach	29
Immersive technologies for the training of operators in the process industry: A Systematic Literature Review	29
A framework for supply chain optimization for modular manufacturing with production feasibility analysis	29
A novel unsupervised approach for batch process monitoring using deep learning	29
COMANDO: A Next-Generation Open-Source Framework for Energy Systems Optimization	29
Power-to-X processes based on PEM water electrolyzers: A review of process integration and flexible operation	29
Deeppipe: a customized generative model for estimations of liquid pipeline leakage parameters	29
Control and soft sensing strategies for a wastewater treatment plant using a neuro-genetic approach	29
A just-in-time modeling approach for multimode soft sensor based on Gaussian mixture variational autoencoder	29
Modeling biogas production from anaerobic wastewater treatment plants using radial basis function networks and differential evolution	28
AI-ML applications in bioprocessing: ML as an enabler of real time quality prediction in continuous manufacturing of mAbs	28
Machine-learning-based simulation and fed-batch control of cyanobacterial-phycocyanin production in Plectonema by artificial neural network and deep reinforcement learning	28
Investigation of the factors affecting reverse osmosis membrane performance using machine-learning techniques	28
Learning from flowsheets: A generative transformer model for autocompletion of flowsheets	27
Synergising stoichiometric modelling with artificial neural networks to predict antibody glycosylation patterns in Chinese hamster ovary cells	27
Subsidised water symbiosis of eco-industrial parks: A multi-stage game theory approach	27
Learning from major accidents: A machine learning approach	27
A novel fault detection and diagnosis approach based on orthogonal autoencoders	27
Integrated design of biopharmaceutical manufacturing processes: Operation modes and process configurations for monoclonal antibody production	27
An integrated framework for plant data-driven process modeling using deep-learning with Monte-Carlo simulations	27

Multi-scale integration for enhanced resilience of sustainable energy supply chains: Perspectives and challenges	27
Estimating technical efficiency of petroleum refineries using DEA and tobit model: An India perspective	27
Fault detection and diagnosis for reactive distillation based on convolutional neural network	27
Retrospective comparison of several typical linear dynamic latent variable models for industrial process monitoring	26
Lessons learned from HIAD 2.0: Inspection and maintenance to avoid hydrogen-induced material failures	26
Data-driven optimization of mixed-integer bi-level multi-follower integrated planning and scheduling problems under demand uncertainty	26
Optimal design of the water-energy-food nexus for rural communities	26
ALVEN: Algebraic learning via elastic net for static and dynamic nonlinear model identification	26
Industrial, large-scale model predictive control with structured neural networks	26
Decentralized Decision System for Closed-Loop Supply Chain: A Bi-Level Multi-Objective Risk-Based Robust Optimization Approach	26
The Euler characteristic: A general topological descriptor for complex data	26
A quantitative and holistic circular economy assessment framework at the micro level	26
Performance-oriented model learning for control via multi-objective Bayesian optimization	26
Development of a digital twin for a flexible air separation unit using a pressure-driven simulation approach	26
Sustainable energy-water-food nexus integration and optimisation in eco-industrial parks	26
Multi-objective transient peak shaving optimization of a gas pipeline system under demand uncertainty	26
Twin actor twin delayed deep deterministic policy gradient (TATD3) learning for batch process control	25
Feature selection-based machine learning modeling for distributed model predictive control of nonlinear processes	25
Sustainable planning in sugar-bioethanol supply chain under deep uncertainty: A case study of South African sugarcane industry	25
Forecasting heterogeneous municipal solid waste generation via Bayesian-optimised neural network with ensemble learning for improved generalisation	25
Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids	25
Reducing chemical oxygen demand from low strength wastewater: A novel application of fuzzy logic based simulation in MATLAB	24
A data-driven optimization model for coagulant dosage decision in industrial wastewater treatment	24
Importance of pressure-selection in pressure-swing distillation	24
Deep reinforcement learning control of hydraulic fracturing	24
Cybersecurity in process control, operations, and supply chain	24
Dynamic control analysis of eco-efficient double side-stream ternary extractive distillation process	24
Analysis of an industrial adsorption process based on ammonia chemisorption: Modeling and simulation	24
Machine learning aided multi-objective optimization and multi-criteria decision making: Framework and two applications in chemical engineering	24
PharmaPy: An object-oriented tool for the development of hybrid pharmaceutical flowsheets	23
A comparative study on Aspen Hysys interconnection methodologies	23
Two-stage distributionally robust optimization for maritime inventory routing	22
A two-phase sequential approach to design bioenergy supply chains under uncertainty and social concerns	22
COBALT: COnstrained Bayesian optimizAtion of computationaLly expensive grey-box models exploiting derivaTive information	22
A Novel Matheuristic based on bi-level optimization for the multi-Objective design of hydrogen supply chains	22
Constrained model-free reinforcement learning for process optimization	22
New paradigms for exploiting parallel experiments in Bayesian optimization	21
Safe chance constrained reinforcement learning for batch process control	21
Multi-objective optimization and comparison of the entrainer-assisted pressure-swing distillation and extractive distillation separation sequences for separating a pressure-insensitive binary azeotrop	21
Data-driven fault diagnosis for chemical processes using transfer entropy and graphical lasso	21
A hybrid optimization approach to analyze the risk-constrained operation of a residential hybrid energy system incorporating responsive loads	21
Physics-informed recurrent neural networks and hyper-parameter optimization for dynamic process systems	21
Profitability related industrial-scale batch processes monitoring via deep learning based soft sensor development	21
Retrosynthesis prediction using grammar-based neural machine translation: An information-theoretic approach	21
Optimal renewable energy integration into the process industry using multi-energy hub approach with economic and environmental considerations: Refinery-wide case study	20
A general deep hybrid model for bioreactor systems: Combining first principles with deep neural networks	20
Optimal control in chemical engineering: Past, present and future	20
Algorithms with state estimation in linear and nonlinear model predictive control	20
Decentralized learning of energy optimal production policies using PLC-informed reinforcement learning	20
CFD analysis and scale up of a baffled membrane reactor for hydrogen production by steam methane reforming	20
Multiperiod optimization of heat exchanger networks with integrated thermodynamic cycles and thermal storages	20
Approximate moving horizon estimation and robust nonlinear model predictive control via deep learning	20
Fault detection and diagnosis to enhance safety in digitalized process system	19
Design and comparison of conventional and side-stream extractive distillation sequences for separating the methanol-toluene binary azeotrope with intermediate boiling entrainer	19
Calculation of solid-vapor equilibria for cryogenic carbon capture	19
Adding interpretability to predictive maintenance by machine learning on sensor data	19
Optimal design of a cooperated energy storage system to balance intermittent renewable energy and fluctuating demands of hydrogen and oxygen in refineries	19
Development of a machine learning-based soft sensor for an oil refinery’s distillation column	19
Municipal solid waste supply chain management under an integrated optimization of sustainability targets	19
Robust data reconciliation in chemical reactors	19
A robust optimization model for tactical planning of the forest-based biomass supply chain for syngas production	19
Adaptive system identification of industrial ethylene splitter: A comparison of subspace identification and artificial neural networks	19
Actor-critic reinforcement learning to estimate the optimal operating conditions of the hydrocracking process	18
Minimisation of energy consumption via optimisation of a simple hybrid system of multi effect distillation and permeate reprocessing reverse osmosis processes for seawater desalination	18
Data-driven forward osmosis model development using multiple linear regression and artificial neural networks	18
Integrated spatially explicit landscape and cellulosic biofuel supply chain optimization under biomass yield uncertainty	18
Complex probabilistic slow feature extraction with applications in process data analytics	18
Stochastic simulation-based superstructure optimization framework for process synthesis and design under uncertainty	18
Adaptive multi-model predictive control applied to continuous stirred tank reactor	18
Development of novel dynamic machine learning-based optimization of a coal-fired power plant	18
Deep learning for full-feature X-ray microcomputed tomography segmentation of proton electron membrane fuel cells	18
Machine learning-based modeling and operation of plasma-enhanced atomic layer deposition of hafnium oxide thin films	18
A generic superstructure modeling and optimization framework on the example of bi-criteria Power-to-Methanol process design	18
Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling	17
Model-based assessment of temperature profiles in slow freezing for human induced pluripotent stem cells	17
Echo State Network Based Soft Sensor for Monitoring and Fault Detection of Industrial Processes	17
Comparison of the performance of different metaheuristic methods for the optimization of shell-and-tube heat exchangers	17
Refinery production planning optimization under crude oil quality uncertainty	17
Data-centric process systems engineering: A push towards PSE 4.0	17
Optimized CFD modelling and validation of radiation section of an industrial top-fired steam methane reforming furnace	17

Predicting chattering alarms: A machine Learning approach	17
A dynamic-inner convolutional autoencoder for process monitoring	17
A Survey on the Application of Machine Learning and Metaheuristic Algorithms for Intelligent Proxy Modeling in Reservoir Simulation	17
Stochastic short-term integrated electricity procurement and production scheduling for a large consumer	17
Water desalination by forward osmosis: Dynamic performance assessment and experimental validation using MgCl2 and NaCl as draw solutes	17
Design of fragrance molecules using computer-aided molecular design with machine learning	17
Sparse-identification-based model predictive control of nonlinear two-time-scale processes	17
A review of recent development in numerical simulation of ultrasonic-assisted gas-liquid mass transfer process	17
Dual-layer feature extraction based soft sensor methods and applications to industrial polyethylene processes	16
Refinery-wide planning operations under uncertainty via robust optimization approach coupled with global optimization	16
Open benchmarks for assessment of process monitoring and fault diagnosis techniques: A review and critical analysis	16
Data-driven early warning model for screenout scenarios in shale gas fracturing operation	16
Forecasting industrial aging processes with machine learning methods	16
Integration of process knowledge and statistical learning for the Dow data challenge problem	16
Conceptualising multi-scale thermodynamics within the energy-water-food nexus: Progress towards resource and waste management	16
Optimal search methods for selecting distributed species in Gillespie-based kinetic Monte Carlo	16
A deep learning-based robust optimization approach for refinery planning under uncertainty	16
A reactive-iterative optimization algorithm for scheduling of air separation units under uncertainty in electricity prices	16
Techno-economic assessment of carbonate melt flue gas desulfurization process	16
Data-driven strategies for extractive distillation unit optimization	16
Optimal heat exchanger network synthesis by sequential splitting of process streams	15
Identification of MIMO Wiener-type Koopman models for data-driven model reduction using deep learning	15
Multiscale computational fluid dynamics modeling and reactor design of plasma-enhanced atomic layer deposition	15
Cluster analysis of crude oils with k-means based on their physicochemical properties	15
Scenario reduction and scenario tree generation for stochastic programming using Sinkhorn distance	15
A comparative review of multi-rate moving horizon estimation schemes for bioprocess applications	15
Accounting for dynamics in flexible process design: A switchability index	15
Handling noisy data in sparse model identification using subsampling and co-teaching	15
Integrating tactical planning, operational planning and scheduling using data-driven feasibility analysis	15
Finding the best operating condition in a novel process for explosive waste incineration using fluidized bed reactors	15
Development of machine learning algorithms for predicting internal corrosion of crude oil and natural gas pipelines	15
Formulating data-driven surrogate models for process optimization	15
Systematic design of active constraint switching using selectors	15
AI-DARWIN: A first principles-based model discovery engine using machine learning	15
Multi-objective superstructure optimization of a microalgae biorefinery considering economic and environmental aspects	15
Long-term hybrid prediction method based on multiscale decomposition and granular computing for oxygen supply network	15
Sustainable retrofit of petrochemical energy systems under multiple uncertainties using the stochastic optimization method	15
Physical pooling functions in graph neural networks for molecular property prediction	15
Multiobjective optimization of a continuous kraft pulp digester using SPEA2	15
Recent advances on the modeling and optimization of CO2 capture processes	15
Mathematical modeling and analysis of microwave-assisted freeze-drying in biopharmaceutical applications	15
A unifying modeling abstraction for infinite-dimensional optimization	15
Machine learning in process systems engineering: Challenges and opportunities	15
Ultrasound assisted oxidative desulfurization: A comprehensive optimization analysis using untreated diesel oil	15
A new graphical approach for simultaneous targeting and design of mass exchange networks	15
Computational fluid dynamics-based in-situ sensor analytics of direct metal laser solidification process using machine learning	15
Quality prediction for multi-grade batch process using sparse flexible clustered multi-task learning	15
Modeling, simulation and optimization of the rotating packed bed (RPB) absorber and stripper for MEA-based carbon capture	15
HybridML: Open source platform for hybrid modeling	14
Fault detection and diagnosis for non-linear processes empowered by dynamic neural networks	14
An adaptive data-driven approach for two-timescale dynamics prediction and remaining useful life estimation of Li-ion batteries	14
Nonlinear programming reformulation of dynamic flux balance analysis models	14
Gray-Box system modeling using symbolic regression and nonlinear model predictive control of a semibatch polymerization	14
Sensitivity-Assisted multistage nonlinear model predictive control: Robustness, stability and computational efficiency	14
Multiscale analysis for power-to-gas-to-power facilities based on energy storage	14
Challenges and opportunities of Solar thermal energy towards a sustainable chemical industry	14
Insights into the interactions of bisphenol and phthalate compounds with unamended and carnitine-amended montmorillonite clays	14
An open source fluid catalytic cracker - fractionator model to support the development and benchmarking of process control, machine learning and operation strategies	14
Multiscale computational fluid dynamics modeling of thermal atomic layer etching: Application to chamber configuration design	14
A mixed uncertainty approach to design a bioenergy network considering sustainability and efficiency measures	14
Novel flexibility index formulations for the selection of the operating range within a design space	14
Computationally efficient optimization models for preliminary distillation column design and separation energy targeting	14
DigiGlyc: A hybrid tool for reactive scheduling in cell culture systems	14
Real-time plume tracking using transfer learning approach	14
Formulation and MIP-heuristics for the lot sizing and scheduling problem with temporal cleanings	14
Opportunities in tensorial data analytics for chemical and biological manufacturing processes	14
Optimal design of integrated urban energy systems under uncertainty and sustainability requirements	14
Optimizing resilience at water-energy-food nexus	14
Optimal fragrances formulation using a deep learning neural network architecture: A novel systematic approach	14
Design and control of an energy-efficient triple-column pressure swing distillation configuration for separation of acetone-methanol-hexane mixture	14
Towards demand-side management of the chlor-alkali electrolysis: Dynamic modeling and model validation	14
Machine learning algorithm for clustering of heart disease and chemoinformatics datasets	13
Identification of chemical markers to detect abnormal wine fermentation using support vector machines	13
Model predictive control using subspace model identification	13
Inference of faults through symbolic regression of system data	13
A graph theoretic representation and analysis of zeolite frameworks	13
Multi-objective optimization of pressure sensor location for burst detection and network calibration	13
Mean squared error criterion for model-based design of experiments with subset selection	13
Combining multi-fidelity modelling and asynchronous batch Bayesian Optimization	13
Novel feasible path optimisation algorithms using steady-state and/or pseudo-transient simulations	13
A multicut generalized benders decomposition approach for the integration of process operations and dynamic optimization for continuous systems	13
Abridged Gaussian sum extended Kalman filter for nonlinear state estimation under non-Gaussian process uncertainties	13
Multi-objective modeling of boiler combustion based on feature fusion and Bayesian optimization	13
Designing a sustainable disruption-oriented supply chain under joint pricing and resiliency considerations: A case study	13
Interactive CFD simulations with virtual reality to support learning in mixing	13
Small-scale production of hydrogen via auto-thermal reforming in an adiabatic packed bed reactor: Parametric study and reactor's optimization through response surface methodology	13
Control-aware batch process scheduling	13
Process evaluation for the separation of acetonitrile-water using extractive distillation with deep eutectic solvents as entrainers	13
Globally optimal design of intensified shell and tube heat exchangers using complete set trimming	13
Risk mitigation in model-based experiment design: A continuous-effort approach to optimal campaigns	13
An adaptive sampling surrogate model building framework for the optimization of reaction systems	13
Reinforcement learning for online adaptation of model predictive controllers: Application to a selective catalytic reduction unit	13
Model predictive control for combined cycles integrated with CO	13
Extending the ability of cyclic carbonates for extracting BTEX to challenging low aromatic content naphtha: the designer solvent role at process scale	13
Two-phase approaches to optimal model-based design of experiments: how many experiments and which ones?	13