32nd European Symposium on Computer Aided Process Engineering

ESCAPE-32

1st Edition, Volume 51 - June 10, 2022
Editors: Ludovic Montastruc, Stephane Negny
Language: English
Hardback ISBN:
9 7 8 - 0 - 3 2 3 - 9 5 8 7 9 - 0
eBook ISBN:
9 7 8 - 0 - 3 2 3 - 9 5 8 8 0 - 6

32nd European Symposium on Computer Aided Process Engineering: ESCAPE-32 contains the papers presented at the 32nd European Symposium of Computer Aided Process Engineering (ESCAP… Read more

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32nd European Symposium on Computer Aided Process Engineering: ESCAPE-32 contains the papers presented at the 32nd European Symposium of Computer Aided Process Engineering (ESCAPE) event held in Toulouse, France. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students and consultants for chemical industries who work in process development and design.

Cover image
Table of Contents
Copyright
Preface
Theme Coordinators
National Organizing Committee
Scientific Committee
International Scientific Committee
Copyright
Copyright
T1: Modelling and Simulation
Periodic Oscillations in Methane Reactor: Effects of the Main Operating Parameters
Abstract
1: Introduction
2: Mathematical Model
3: Results
4: Conclusions
References
Modeling and Simulation of Non-Isothermal Ceramic Drying
Abstract
1: Introduction
2: Mathematical description of the model
3: Results and Discussion
4: Conclusions
Acknowledgments
References
Numerical study on the solid phase residence time distribution in a counter-current screw extractor
Abstract
1: Introduction
2: Mathematical Model
3: Experiments and Simulation
4: Results and Discussion
5: Conclusion and Outlook
References
Dynamic modelling of light and temperature effects on biomass growth and biohydrogen production by the photosynthetic bacterium Rhodopseudomonaspalustris
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
References
Reducing the experimental effort to design pharmaceutical tablet lubrication by model-based design of experiments
Abstract
1: Introduction
2: Materials and methods
3: Conclusions
References
A model-based approach to predict the flowability of directly compressed pharmaceutical blends from individual components
Abstract
1: Introduction
2: Materials and experimental methods
3: Proposed modelling approach
4: Results
5: Conclusions
References
Purification of MIBA by Continuous Distillation
Abstract
1: Introduction
2: Simulation of continuous distillation of MIBA
Conclusion
References
Modelling of Organophilic Pervaporation for Separation of Acetone-Butanol-Ethanol Mixture
Abstract
1: Introduction
2: Material and methods
3: Results and discussion
4: Conclusions
References
Development of Deep Learning Architectures for Forecasting Distillation Columns Dynamic Behavior of Biobutanol Purification
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Impact of Methanol Synthesis Kinetics on Bulk Production Prediction: an In-Silico Assessment
Abstract
1: Introduction
2: Methods
3: Sensitivity analysis to the feed composition and pressure
4: Industrial case studies
5: Conclusions
References
Optimal layout of modular multi-floor process plants using MILP
Abstract
1: Introduction
2: Problem Description
3: Results and Discussion
4: Conclusions
Acknowledgement
References
Paving the way to multi-case optimization of a steam Rankine cycle for cogeneration in nuclear power plants
Abstract
1: Introduction
2: Rankine cycle model
3: Seasonal temperature variation of cold source
4: Optimization
5: Conclusion
Acknowledgements
References
Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study
Abstract
1: Introduction
2: Model development
3: Modelling results and discussion
4: Conclusions
Acknowledgements
References
Optimising a wind farm with energy storage considering curtailment and uncertainties
Abstract
1: Introduction
2: Model Description
3: Scenario Generation
4: Results and Discussion
5: Conclusion
6: Acknowledgements
References
Optimization of Biofuel and Kerosene Fuel Blends to Support Sustainable Aviation
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
Dynamic Surrogate Modeling for Continuous Processes Control Applications
Abstract
1: Introduction
2: Case study
3: Methodology
4: Results
5: Conclusions
References
Probabilistic machine learning based soft-sensors for product quality prediction in batch processes
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Results and Discussion
5: Conclusions
References
Property Estimation Method for Cannabinoids and Terpenes Using Machine Learning
Abstract
1: Introduction
2: Methodology
3: Analysis
4: Discussion and Conclusions
References
Kinetic modelling of γ-linolenic acid production by Cunninghamella echinulata
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
References
Techno-economic and environmental analysis of pyrolysis process simulation for plastic (PET) waste
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion:
References
Monte Carlo Simulation of the Mechanical Processing of Bulk Materials with Fluctuating Compositions – Compositional Probability Density
Abstract
1: Introduction
2: Experimental Data Generation
3: Probability Density Distribution
4: Conclusion and Outlook
Acknowledgements
References
Determination of the burst pressure of pillow plates using finite element methods
Abstract
1: Introduction
2: FEM Simulation
3: Validation
4: Results
5: Conclusions
References
A hybrid multi effect distillation and double reverse osmosis system for most economical brackish water desalination
Abstract
1: Introduction
2: Description of MED-TVC and double RO processes
3: Modelling of MED-TVC and double RO processes
4: Simulation and performance evaluation of the brackish water desalination system using MED-TVC and double RO processes
5: Conclusions
References
Computational intelligence applied to the mathematical modeling of enzymatic syntheses of biosurfactants
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
Acknowledgements
References
A Practical Guide to Coffee Roaster Modelling
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions and Recommendations
References
Modeling and simulation of anoxic-aerobic algal-bacterial photobioreactor for nutrients removal
Abstract
Introduction
Materials and Methods
Results
Conclusions
Acknowledgments
References
Gaussian-Process based inference of electrolyte decomposition reaction networks in Li-ion battery failure
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
5: Conflicts of Interest & Acknowledgements
References
Energy evaluation of processes for the production of hydrogen from biomass biodigestion under Aspen Plus
Abstract
1: Introduction
2: Process modeling in Aspen Plus
3: Results and discussion
Conclusion
References
Life cycle optimization of energy systems integrated with carbon capture and utilization
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
Acknowledgements
References
A comparative study of swarm intelligence and artificial neural networks applications in modeling complex reaction processes
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgments:
References
Combined optimization of start-up shutdown and grade transition of a multistage continuous crystallization process
Abstract
1: Introduction
2: Material and Method
3: Result and Discussion
4: Conclusion
References
Systematic dynamic modelling of heat exchanger network
Abstract
1: Introduction
2: Model formulation
3: Model of two interconnected blocks
4: Model of Heat Exchanger Network interconnection in series
5: Conclusion
References
Technical and economic assessment of a castor bean biorefinery to produce renewable aviation fuel: a computer-aided design
Abstract
1: Introduction
2: Modelling and simulation of castor bean plant biorefinery
3: Analysis of results
4: Conclusions
Acknowledgments
References
SiCN fibers as advanced materials for electromagnetic shielding in X-band: experiments and computational modelling and simulation
Abstract
1: Introduction
2: Material and methods
3: Results and discussion
4: Conclusion
References
Continuous-Time Surrogate Models for Data-Driven Dynamic Optimization
Abstract
1: Introduction
2: Continuous-Time Surrogate Models and Data-Driven Optimization
3: Motivating Example: A Stable Dynamic Model
4: Continuous-Stirred Tank Reactor Example: An Unstable Nonlinear Dynamic Model
5: Conclusions
References
Parameter estimation in dynamic metabolic models applying a surrogate approximation
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
Acknowledgments
References
A Benchmark Model to Generate Batch Process Data for Machine Learning Testing and Comparison
Abstract
1: Introduction
2: Benchmark Process Model
3: Process Model Implementation
4: Evaluation of ML algorithms
5: Results
6: Conclusions
Acknowledgements
References
Global warming impact of electric city buses in Chile: Critical stages of their fabrication and use
Abstract
1: Introduction
2: Case Study
3: Methodology
4: Results
5: Conclusions
References
Sustainable Ammonia Production via Electrolysis and Haber-Bosch Process
Abstract
1: Introduction
2: Background
3: Process Description
4: Results and Discussions
5: Conclusions and Future Work
References
Optimization for sustainable hydrogen production path
Abstract
1: Introduction
2: Hydrogen Production Methodologies
3: Process Modeling
4: Simulation, Results and Discussion
5: Conclusion
Acknowledgement
References
Development of lactic acid evaporation process model with multi effect evaporator and mechanical vapor recompression system
Abstract
1: Introduction
2: Process description
3: Model development
4: Results
5: Conclusions
References
Optimization-Based Framework for Robust Modeling and Design of Kinetic Systems
Abstract
1: Introduction
2: Framework description: Methodology
3: Results: Isobutene dimerization
4: Conclusions
References
Optimal Control System for Products Quality from a Deethanizer Column
Abstract
1: Introduction
2: The Deethanizer Column
3: Modelling and simulation of the deethanizer column
4: Design of the feedforward control system
5: Optimal control system
Conclusions
References
Importance of detailed experimentation in the model based design and scale up of pharmaceutical spray dryers for heat sensitive products
Abstract
1: Introduction
2: Mathematical model
3: Methods
4: Results
5: Conclusions
References
Process modelling of Direct Air Capture (DAC) of CO2 using solid amine sorbents
Abstract
1: Introduction
2: Modelling and validations
3: DAC model of 1.1 kg/day results and discussion
4: Conclusion and future work
References
Mechanistic modelling for thrips incidence in organic banana
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
A novel approach to modelling trickle bed reactors
Abstract
1: Introduction
2: BasMo – A simulation toolbox for trickle bed reactors
3: Conclusions
References
Alkaline Water Electrolysis Model to Purify GMP grade NaOH Solutions for Biopharmaceutical Manufacturing Processes
Abstract
1: Introduction
2: Experiment
3: Model and its Verification
4: Conclusion and Future Work
Acknowledgement
References
Effect of air dynamics on the discharge of a pharmaceutical powder using the discrete element method
Abstract
1: Introduction
2: Methodology and implementation
3: Results and discussion
4: Conclusions and outlook
References
Biorefinery modelling is in tatters, and here is why
Abstract
1: Motivation
2: Outlining the current state of biorefinery modelling
3: The challenges facing biorefinery modelling
4: A wish list for biorefinery modelling
5: Conclusion
Acknowledgements
References
Simulation of a Fischer-Tropsch reactor for jet fuel production using Aspen Custom Modeler
Abstract
1: Introduction
2: Model description
3: Validation model
4: Case study - ULiège model
5: Conclusions
References
Techno-economic-environmental analysis of a microbial oil production integrated into a bioethanol sugarcane biorefinery
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
Acknowledgments
References
Modeling the hydrodynamic sizing and rating of reactive packing in Aspen Plus
Abstract
1: Introduction
2: Methods
3: Results and Discussion
4: Conclusion
5: Acknowledgements
References
Simplified Model-based Design of Plate-fin Microdevices with Uniform Flow Distribution at High Flow Rates
Abstract
1: Introduction
2: Simple Model Development
3: Evaluation of Prediction Accuracy of the Developed Model
4: Design of Plate-fin Microdevice
5: Design of Stacked Plate-fin Microdevices
6: Conclusions
References
CFD-based study of fluid flow and transport phenomena in fixed bed compact reactors
Abstract
1: Introduction
2: Simulation settings
3: Simulation results and discussion
4: Conclusions
Acknowledgement
References
Multicomponent, nonisothermal VOC adsorption modelling for pharmaceutical effluent purification: effect of operating conditions on bed performance
Abstract
1: Introduction
2: DynamicModel Development: Assumptions and Structure
3: Dynamic Model Parameters for Adsorption Systems
4: Results and Discussion
5: Conclusions
Acknowledgements
References
Hydrogen Separation via Continuous Hydrate Formation
Abstract
1: Contextualization
2: Materials and Methods
3: Results and Discussion
4: Conclusions
Acknowledgments
References
Combined particle model and experimental approach for predicting pyrolysis with palm kernel shells
Abstract
1: Introduction
2: Biomass pyrolysis and modelling strategies
3: Experimental approach and particle model for biomass pyrolysis
4: Results and Discussion
5: Conclusions
6: Acknowledgements
References
Methanation of CO2 byproduct from an ammonia plant with green hydrogen
Abstract
1: Introduction
2: Methods
3: Thermodynamic and kinetic baseline simulations
4: Process model
5: Coke oven gas utilization
6: Conclusion
References
Uncertainty analysis applied to distillation columns calculations
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
Acknowlwdgements
References
Gas diffusion channels in Li-O2 batteries: a comparison of wet and flooded electrodes
Abstract
1: Introduction
2: Method
3: Results and discussion
4: Conclusions
Acknowledgments
References
Techno-economic analysis of flexible AP-X LNG production process under risks and uncertainties
Abstract
1: Introduction
2: Methodology and Data
3: Results and Discussion
4: Conclusion
References
Modelling and Parameter Fitting of the Dosage of Hydrogen Peroxide in a Photo-Fenton Process
Abstract
1: Introduction
2: Methodology
3: Result and discussion
4: Conclusions
Acknowledgments
References
Optimising the performance of the condensate stabilisation unit in LNG Processes
Abstract
1: Introduction
2: Methodology
3: Condensate stabilisation process
4: Sensitivity analyses
5: Optimisation problem
6: Conclusion
References
Data-driven modelling of full batch distillation cycles based on recurrent neuronal networks
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
5: Acknowledgements
References
Stackelberg Game Design and Operation of a Non-Cooperative Bi-Level H2 Supply Chain Under Cournot Equilibrium
Abstract
1: Introduction
2: Problem Definition
3: Hybrid MIBLPP Algorithm. The multi-follower case
4: Results
5: Conclusions
6: Acknowledgements
References
Modelling of Heat-Driven Water Treatment Systems: Multi-Effect Distillation (MED) model in Modelica
Abstract
1: Introduction
2: Modelling of a Multi-Effect Distillation (MED) Unit
3: Economic Assessment
4: Conclusions
Acknowledgements
References
Continuous operation of a solar photobioreactor with linearizing control – A simulation study
Abstract
1: Introduction
2: Process description and modelling
3: Results
4: Conclusions
References
Dynamic Inherent Safety Analysis of a Distillation Column under Simultaneous Design and Control
Abstract
1: Introduction
2: Case Study – Binary Distillation
3: Methodology
4: Results and Discussion
5: Conclusions
References
Modeling of Phosphates Slurry Pipelines Through Dynamic Non-Newtonian Fluid Model with Modelica
Abstract
1: Introduction
2: Methodology
3: Results and Discussions
Results and discussion:
3.2: Simulation of the Non-Newtonian slurry flow
4: Conclusion
References
Techno-Economic Analysis of the Conversion of Waste Plastics to Hydrogen Fuel
Abstract
1: Introduction
2: Modelling and Simulation
3: Process Description
4: Results and Discussion
5: Economic Analysis and Project Feasibility
Conclusions
Acknowledgements
References
Evaluating the flexible operation of vacuum-pressure swing adsorption for CO2 capture from modern gas turbines
Abstract
1: Introduction
2: Adsorption modelling
3: Results and discussion
4: Conclusion
References
Exergoeconomic assessment of the optimised vapour-recompression assisted column for palm-based fatty acid fractionation
Abstract
1: Introduction
2: Methodology
3: Results and Discussions
4: Conclusions
References
A Reduced Population Balance Model for Coupled Hydrodynamics and Mass Transfer in Shallow Bubble Column Reactors
Abstract
1: Introduction
2: Coupled bubble hydrodynamics and mass transfer using OPOSPM
3: Numerical solution
4: Results and discussion
5. Summary and conclusions
References
Modeling of the crystallization of gypsum produced in the digestion tank of an industrial phosphoric acid manufacturing process
Abstract
1: Introduction
2: Modeling framework
3.3: Experimental measurements
4: Results and discussions
5: Conclusions
References
Development of a whole-body physiologically-based pharmacokinetic model for high-dose methotrexate
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
References
Analysis of an industrial adsorption process based on ammonia chemisorption: model validation
Abstract
1: Introduction
2: Ammonia adsorption process modeling
3: Model validation
4: Conclusions
References
CFD modeling and simulation of an ammonia adsorption process
Abstract
1: Introduction
2: Mathematical modeling
3: Results and discussion
4: Conclusions
References
Polygeneration from sugarcane industries enhanced by functionalizing novel cultivars and excess thermal energy
Abstract
1: Introduction
2: Material and methodology
3: Result and discussion
4: Conclusion
Acknowledgement
References
Economic optimization of a reactive distillation column with multiple reactive sections for silane production
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
A multiscale model of proliferating and quiescent cell populations coupled with cell cycle dynamics
Abstract
1: Introduction
2: Mathematical model
3: Numerical solution
4: Results and discussion
5: Conclusion
References
Multi-objective optimization of the food chain as a support for the development of agricultural sector
Abstract
1: Introduction
2: Mathematical model for food supply optimization
3: Slovenian case study
4: Results
5: Conclusions
Acknowledgment
References
Optimal CO2 allocation for enhanced oil recovery operations within carbon utilisation networks in Qatar
Abstract
1: Introduction
2: Literature Review
3: Model Design and Optimisation
4: Results and Discussion
5: Conclusion
References
Optimal operation of an evaporator for the controlled production of titania nanoparticles
Abstract
1: Introduction
2: Modelling
3: Optimization
4: Results
5: Conclusion and future work
6: Acknowledgements
References
A model-based approach for the prediction of banana rust thrips incidence from atmospheric variables
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Comparison between 3D numerical simulations and experimental results of a lab-scale liquid-solid fluidized bed
Abstract
1: Introduction
2: Experimental measurement from Aguilar-Corona (2008)
3: Mathematical modeling and numerical parameters
4: Fluidization law
5: Fluid and particle analysis of the total fluctuating kinetic energy
6: Conclusion
7: Acknowledgement
References
Non-process elements in kraft bleach plants: adsorption equilibrium aiming at reducing water consumption
Abstract
1: Introduction
2: Model development and implementations
3: Materials and methods
4: Results and discussion
5: Conclusions
Acknowledgments:
References
Re-design and scheduling of dairy thermal treatment processes for continuous operation
Abstract
1: Introduction and background
2: New switching logic using pasteurisation time
3: High-temperature-short-time (HTST) case studies
4: Semi-continuous operation with the additional equipment
5: Conclusions
References
Xflow modelling for investigation of fluid structure interaction of artificial reef: application to burial effect
Abstract
1: Introduction
2: Environment
3: Simulation of the interaction fluid structure on the bow
4: Multiphase modelling
7: Conclusions
References
Metamodeling of chemical engineering unit operations using Kriging and prediction error estimation
Abstract
1: Motivation
2: Test-problems: chemical engineering models for unit operations
3: Kriging for metamodeling
4: Assessment using the test-problems
5: Conclusion and perspectives
References
On the integration of process engineering with metabolomics for the production of muconic acid: the case for Saccharomyces Cerevisiae
Abstract
1: Introduction
2: Problem description and workflow outline
3: Case study: Muconic acid production from S.Cerevisiae
References
Modelling and simulation of a residual lignocellulosic biomass pyrolysis pilot plant
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgements
References
Techno-economic-environmental analysis of biodiesel production by magnetic nanoparticles CLEAs of eversa® transform
Abstract
Introduction
1: Methodology
2: Results and discussion
3: Conclusions
References
Numerical Analysis of Impellers Hydrodynamics Performance in a Bioreactor CSTR with SPH
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgements
References
On the use of embedded models and advanced analytics to model complex processes in the cement industry
Abstract
1: Introduction
2: Presentation of first-principle models and parameters
3: Outline of methodology
4: Implementation
5: Results
6: Conclusions
Acknowledgement
References
Aspen Plus® modeling approach of beechwood gasification in a fluidized bed reactor using biochar as bed material
Abstract
1: Introduction
2: Aspen Plus® simulation
3: Results and analysis
Conclusion
References
Mathematical modeling of the diffusion-limited (DLA) aggregation accompanied by particles swarming in reactors
Abstract
1: Introduction
2: Algorithm description
3: Some results of the simulation
4: Conclusion
References
Verification of Neural Network Surrogates
Abstract
1: Introduction
2: Optimization with Neural Network Surrogates
3: Formulation of Neural Network Verification Problem
4: Illustrative Example: Reactor Optimization with Neural Network Surrogates
5: Conclusions
6: Acknowledgements
References
Sustainable Analysis of Recent Acid Gas Treatment Schemes for LNG production
Abstract
1: Introduction
2: Methodology and process description
3: Results and discussion
4: Conclusion
References
T2: Product/Process Synthesis and Design
Promising future for biodiesel: Superstructure optimization from feed to fuel
Abstract
1: Introduction
2: Superstructure for biodiesel production
3: Results and discussion
4: Conclusion
References
Model-based solvent selection for integrated synthesis, crystallisation and isolation processes
Abstract
1: Introduction
2: Solvent selection approach for integrated synthesis, crystallisation and isolation processes
3: Case study: solvent selection for the integrated synthesis, crystallisation and isolation of mefenamic acid
4: Conclusion
References
Computer-aided solvent design for suppressing HCN generation in amino acid activation
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
5: Acknowledgements
References
Improving sustainable CHOSYN´s targets through process intensification
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
A novel process design for automated quality analysis in an integrated biopharmaceutical platform
Abstract
1: Introduction
2: Process design
3: Results and discussion
4: Conclusions
References
A multiscale approach towards the use of Urban waste within the energy transition strategy
Abstract
1: Introduction
2: Methodology
3: Problem definition
4: Results
5: Conclusions
Acknowledgments
References
Integration of thermo-chemical energy storage for flexible operation of decarbonized power plants
Abstract
1: Introduction
2: Integration of calcium looping system for power plant decarbonization
3: Techno-economic assessment of decarbonized power plant concepts
4: Conclusions
Acknowledgements
References
Superstructure optimization for sustainable design of an algae biorefinery
Abstract
1: Introduction
2: Superstructure optimization
3: Results
4: Conclusion
References
Economic and Environmental Optimization and Feedstock Planning for the Renewable Jet Production Using an Intensified Process
Abstract
1: Introduction
2: General description of the process
3: Case of study
4: Process optimization
5: Results
6: Conclusions
References
Heat exchanger networks with different shell and tube configurations
Abstract
1: Introduction
2: Methodology
3: Example
4: Conclusions
Acknowledgments
References
Considering Environmental and Social Impact in Optimization of a Supply Chain for Bio-Jet Fuel Production
Abstract
1: Introduction
2: Methodology
3: Mathematical model
4: Results
5: Conclusions
References
Superstructure Optimization of Dimethyl Ether Process
Abstract
1: Introduction
2: Superstructure of DME Production Process
3: MINLP Formulation and Solution Method
4: Results
5: Conclusion
References
A Comprehensive Evaluation on the COSMO-SAC-dsp Model for Vapor-Liquid Equilibrium Predictions of Refrigerants
Abstract
1: Introduction
2: Methods
3: Results
4: Conclusions and outlooks
Acknowledgement
References
Design and Evaluation Strategies for a Novel Hybrid Trigeneration System
Abstract
1: Introduction
2: Methodology
3: Mathematical Formulation
4: Case Study
5: Conclusion
References
Process synthesis for desalination using superstructure optimization of membrane technologies
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
References
A comparison of process synthesis approaches for multistage separation processes by gas permeation
Abstract
1: Introduction
2: Synthesis approaches and their comparison
3: Case study: production of N2 from air using membrane gas permeation
4: Conclusion
References
Bifurcation analysis of combined agglomeration and layering granulation in fluidized bed spray processes
Abstract
1: Introduction
2: Process Description and Model
3: Bifurcation Analysis
4: Results
5: Conclusion and Future Work
Acknowledgments
References
Enhancement of energy saving of reverse osmosis system via incorporating a photovoltaic system
Abstract
1: Introduction
2: Description of RO desalination plant powered by PV system
3: Design of PV system
4: Modelling of RO-PV system of APC
5: Modelling of Photovoltaic System
6: Evaluation of PV-RO system for various types of solar panels
7: Conclusions
References
Design and simulation of methanol synthesis using heavy residues with carbon utilization
Abstract
1: Introduction
2: Process design
3: Results
4: Conclusion
References
Integrated process synthesis and design of intensified/hybrid processes
Abstract
1: Introduction
2: Framework
3: Case Study
4: Conclusions
References
Macroalgae-based integrated biorefinery for hydrocolloids, chemicals and advanced biofuels production
Abstract
1: Introduction
2: Process Description
3: Mathematical Model
4: Numerical Results
5: Conclusion
References
Design Space Determination of Mesenchymal Stem Cell Cultivation by Dynamic Modeling under Uncertainty
Abstract
1: Introduction
2: Proposed workflow
3: Case Study
4: Conclusions
Acknowledgements
References
Deterministic global optimization of multistage layer melt crystallization using surrogate models and reduced space formulations
Abstract
1: Introduction
2: Methods
3: Results
4: Conclusions
References
Model-Based Design Space for Protein A Chromatography Resin Selection
Abstract
1: Introduction
2: The Framework
3: Case Study: Monoclonal Antibody Capture Process
4: Results and Discussion
5: Conclusion
References
Sustainable Energy Systems Design with Heat Pump Technologies for Meeting Peak Heating Demand
Abstract
1: Introduction
2: Problem Statement and Model Summary
3: Application to Sustainable Design of Campus Energy Systems
4: Conclusion
References
Isopropanol/n -Butanol/Ethanol separation from diluted fermentation broth by distillation. Process optimization using MILP techniques
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
References
Automatic synthesis of hybrid processes using distillation and liquid-liquid extraction for the separation of azeotropic mixtures
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusion
Reference
A framework for optimal and flexible schemes design under uncertainty and sustainable aspects
Abstract
1: Introduction
2: Case study
3: Methodology
4: Results
5: Conclusions
6: Acknowledgments
References
Optimization-based assessment framework for CO2 utilization to fuels strategies
Abstract
1: Introduction
2: Methodology
3: Superstructure
4: Simulation and parameter estimation
5: Optimization model
6: Results and discussion
7: Conclusion
References
A novel approach to continuous extraction of active ingredients from essential oils through combined chromatography
Abstract
1: Introduction
2: Materials and methods
3: Results and discussion
4: Conclusions
References
Digital design and optimization of an integrated reaction-extraction-crystallization-filtration continuous pharmaceutical process
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
Multi-objective optimization of natural gas liquefaction process simulation via kriging surrogate model
Abstract
1: Introduction
2: Natural gas liquefaction process
3: Kriging-based multi-objective optimization
4: Results
5: Conclusions
Acknowledgments
References
Integrated synthesis, modeling, and assessment of waste-to-resource alternatives
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Results and Discussion
5: Conclusions
Acknowledgments
References
MINLP model for work and heat exchange networks synthesis considering unclassified streams
Abstract
1: Introduction
2: WHEN model
3: Case study
4: Conclusions
Acknowledgments
References
Planetary Boundaries Assessment of Flue Gas Valorization into Ammonia and Methane
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgments
References
A techno-economic assessment of biochar production from date pits in the MENA region
Abstract
1: Introduction
2: Materials and methods
3: Results and discussion
Conclusion
Acknowledgments
References
Design of sustainable processes for CO2 capture
Abstract
1: Introduction
2: Study Case and Methodology
3: Results
Conclusions
References
Water network optimisation in chemical complexes: a refinery case study
Abstract
1: Introduction
2: Problem statement
3: Mathematical formulation
4: Initialisation
5: Application example
6: Conclusion
References
Optimal design of solar-aided hydrogen production process using molten salt with CO2 utilization for polypropylene carbonate production
Abstract
1: Introduction
2: Problem description
3: Mathematical formulation
4: Solution algorithm
5: Computational studies
6: Conclusion
References
Hierarchical Approach for Solvent Selection in Circular Economy
Abstract
1: Introduction
2: Methodology
3: Case Study - Chemical Recycling of PLA
4: Conclusion and Outlook
Acknowledgements
References
A Framework to Facilitate Decision Making for Infrastructure Options Analysis of Distribution and Utilities Systems in Chemical Production Plants
Abstract
1: Introduction
2: Framework Overview
3: Mathematical Modeling
4: Case Study
5: Conclusion
References
An Optimization Model for Expansion Planning of Reliable Power Generation Systems
Abstract
1: Introduction
2: Problem statement
3: Model formulation
4: Illustrative example
5: Conclusions
Acknowledgement
References
Application of an ontology-based decision support system for the design of emulsion-based cosmetic products
Abstract
1: Introduction
2: An ontology for cosmetic product design
3: Application: Checking if a given formulation follows the heuristics
4: Conclusions and perspectives
References
Synthesis of extractive distillation structures for the purification of ethanol
Abstract
1: Main Text
2: Problem statement
3: Mathematical formulation
4: Results and Discussion
5: Conclusions
References
Optimal design for flexible operation with multiple fluctuating input parameters
Abstract
1: Introduction
2: Design Problem
3: Methanol Synthesis Modeling
4: Optimal Process Design
5: Results and Discussion
6: Conclusions
References
Design and Optimization of Membrane System for Gas Separation
Abstract
1: Introduction
2: Membrane Superstructure Model
3: Post-combustion CO2 Capture
4: Biogas Upgradation by CO2 Removal
5: Conclusions
References
Assessment of Carbon Capture Technologies for Waste-to-Energy System
Abstract
1: Introduction
2: Waste-to-Energy Superstructure
3: Waste-to-Energy: A Case Study
4: Conclusions
References
Process Integration and Techno-Economic Assessment of a Green Biorefinery Demonstration Scale Platform for Leaf Protein Production
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussion
4: Conclusions
References
The effect of alternative fuels on calcium-looping
Abstract
1: Introduction
2: Model development
3: Results
4: Conclusions
References
Simultaneous Synthesis of Metabolic and Process Engineering for the Production of Muconic Acid
Abstract
1: Background and Motivation
2: Methodology
3: Illustration Cases
4: Future Work
References
Renewable hydrogen supply chain for transport application in Corsica island
Abstract
1: Introduction
2: Presentation of the methodological framework
3: Results and discussions
4: Conclusion and perspectives
References
T3: Large Scale Design and Planning/Scheduling
Optimal configuration of a biodiesel production network using oil from black soldier fly larvae
Abstract
1: Introduction
2: Problem statement
3: Methodology
4: Results
5: Conclusion
References
Optimization of Sink Locations in Carbon Integration Networks
Abstract
1: Introduction
2: Methodology
3: Mathematical Formulation
4: Case Study
5: Conclusions
References
Towards Efficient Bioenergy Systems: Understanding the Role of Soil Sequestration, Supply Chain Design, and Carbon Capture
Abstract
1: Introduction
2: Supply chain and biorefinery model
3: Results
4: Conclusions
References
A Multi-Period Planning and Scheduling Strategy for Developing Hydrogen-Based Supply Chains
Abstract
1: Introduction
2: Problem Statement
3: Solution Framework
4: Results and Discussion
5: Conclusion
6: Acknowledgements
References
Holistic Capacity Management and Production Planning in the Pharmaceutical Supply Chain
Abstract
1: Introduction
2: Problem Statement
3: Methodology
4: Case Study
5: Conclusions & Perspectives
References
Towards Resilience in Next-Generation Vaccines and Therapeutics Supply Chains
Abstract
1: Introduction
2: Materials & Methods
3: Results & Discussion
4: Conclusions
References
Network-Based Analysis of Electrified Chemical Processing with Renewable Energy Sources
Abstract
1: Introduction
2: Background
3: Problem Definition
4: Case Studies and Results
5: Conclusion
6: Acknowledgments
References
MINLP framework for systems analysis of the chemical manufacturing industry using network models
Abstract
1: Introduction
2: Background
3: MINLP Problem Formulation
4: Discussion
5: Conclusions
6: Acknowledgments
References
A Novel Approach for Vehicle Fleet Sizing and Allocation under Uncertain Demand
Abstract
1: Introduction
2: Problem Statement
3: Mathematical Formulation
4: Results and Discussion
5: Conclusions
References
Fresh vs frozen: assessing the impact of cryopreservation in personalised medicine
Abstract
1: Introduction
2: Materials and methods
3: Results and discussion
4: Conclusions
5: Acknowledgements
References
A novel hybrid algorithm for scheduling multipurpose batch plants
Abstract
Introduction
Genetic algorithm
Sequence-based MILP formulation
Hybrid framework
Case studies
Conclusions
References
Assessment of biomass supply chain design and planning using discrete-event simulation modeling
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusions
Acknowledgments
References
Design of a three-echelon supply chain under uncertainty in demand and CO2 allowance prices
Abstract
1: Introduction
2: Methodology
3: Results
4: Outlook and further work
Acknowledgements
References
An industrial perspective on simulation versus optimisation decision-making capabilities
Abstract
1: Introduction
2: Simulation-based versus optimisation-based industrial capabilities
3: An industrial perspective on petroleum refinery decision-making
4: Guidelines for enhanced industrial capabilities
5: Illustrative example
6: Conclusions
References
Decomposition of Two-stage Stochastic Scheduling Problems via Similarity Index
Abstract
1: Introduction
2: Similarity Index
3: Case study
4: Results
5: Conclusions
6: Acknowledgements
References
A New MILP Formulation for Scheduling of Crude Oil Operations
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussions
4: Conclusions
References
Multiperiod optimization model for CO2 capture, utilization and storage, Colombian case study
Abstract
1: Introduction
2: Model formulation
3: Results
4: Conclusions
Acknowledgments
References
Towards improved scheduling: an analysis on time-steps, time-horizon, and rescheduling
Abstract
1: Introduction
2: Scheduling parameters: time-step and time-horizon
3: Problem statement
4: Examples and results
5: Final remarks and future guidelines
References
T4: On Line Model Based Applications and Control
Pharmaceutical Industry Supply Chains: Planning Vaccines’ Distribution
Abstract
1: Introduction
2: Problem Definition and mathematical formulation
3: Case-Study
4: Results and Discussion
5: Conclusions and future work
Acknowledgements
References
Plantwide control strategy for a biodiesel production process from Jatropha curcas oil with variable composition
Abstract
1: Introduction
2: Case study
3: Control strategy
4: Results
5: Conclusions
References
Cascade fuzzy control of a tubular chemical reactor
Abstract
1: Introduction
2: Cascade fuzzy control
3: Case study
4: Simulation results
5: Conclusions
Acknowledgement
References
Design and Implementation of an Optimal Control Framework for Post-combustion CO2 Capture Process
Abstract
1: Introduction
2: Post-combustion CO2 Capture (PCC) Process
3: Optimal Control Framework
4: Implementation Results
5: Conclusions
6: Acknowledgement
References
Data Driven Process Monitoring, from Fault Detection and Diagnosis Points of View, in Industry 4.0 Context
Abstract
1: Introduction
2: Industry 4.0 and Associated Technologies
3: Process Monitoring within Industry 4.0 Context
4: Conclusions
References
Safe Chance Constrained Reinforcement Learning for Batch Process Optimization and Control
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Results and Discussion
5: Conclusions
References
Support Vector Machine-based Design of Multi-model Inferential Sensors
Abstract
1: Introduction
2: Problem Statement
3: Design of MIS with Advanced Approaches
4: Case Study
5: Conclusions
References
Model predictive control for greenhouse condition adjustment and crop production prediction
Abstract
1: Introduction
2: State-space model construction
3: Model predictive control framework
4: Control profile
5: Discussion
References
Study on the noise contents of different measurements in industrial process and their impact on process monitoring
Abstract
1: Introduction
2: Methodology
3: Selection of optimal denoising parameters and its application on an industrial continuous catalytic reforming process
4: Results and discussion
5: Conclusions
References
A Comparative Study on the Influence of Different Prediction Models on the Performance of Residual-based Monitoring Methods
Abstract
1: Introduction
2: Preliminary
3: Establishment of residual-based monitoring models
4: Case study
5: Conclusions
References
Optimal operation of parallel mini-bioreactors in bioprocess development using multi-stage MPC
Abstract
1: Introduction
2: Material and Methods
3: Results and discussion
4: Conclusion and outlook
Acknowledgments
References
A platform for online system identification of dynamic ultrafiltration systems
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Development of a Virtual Sensor for Real-Time Prediction of Granule Flow Properties
Abstract
1: Introduction
2: Methods
3: Materials and Equipment
4: Results and Discussion
5: Conclusions
6: Acknowledgements
7. References
A Hierarchical Approach to Monitoring Control Performance and Plant-Model Mismatch
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusions
Acknowledgement
References
Optimal Control Policies of a Crystallization Process Using Inverse Reinforcement Learning
Abstract
1: Introduction and Background
2: Problem Formulation
3: Result and Discussion
4: Conclusion
Acknowledgements:
References
Dynamic Real–Time Optimization with Closed-Loop Prediction for Nonlinear MPC–Controlled Plants
Abstract
1: Introduction
2: Formulation
3: Case Studies
4: Conclusion
References
Dynamic Real-Time Optimization of a Solar Thermal Plant during Daytime
Abstract
1: Introduction
2: Solar thermal plant description and modelling
3: Dynamic Real-Time Optimization methodology
4: Case study
5: Conclusion
References
Online Bayesian Re-design of Parallel Experiments based on Asynchronous Posterior Sampling
Abstract
1: Introduction
2: Online re-design via posterior sampling
3: Case study
4: Concluding remarks
References
Dynamic optimisation and comparative analysis of fed-batch and perfusion bioreactor performance for monoclonal antibody (mAb) manufacturing
Abstract
1: Introduction
2: Dynamic Modelling and Optimisation for mAb Production
3: Results and Discussion
4: Conclusions
References
Control of an industrial packed extraction column for biodiesel washing
Abstract
1: Introduction
2: Development of the control strategy for the extraction column
3: Results
4: Conclusion and Future Work
Acknowledgements
References
Development of mechanistic reduced order models (ROMs) for glidant and lubricant effects in continuous manufacturing of pharmaceutical solid-dosage forms
Abstract
1: Introduction
2: Materials and Methods
3: Reduced Order Models
4: Conclusion
5: Acknowledgments
References
Health-aware control using hybrid models applied to a gas-lifted oil well network
Abstract
1: Introduction
2: Case Study: Gas-lifted oil well network
3: Health-critical constraints and objective function
4: Choosing the data-driven model
5: Conclusion
References
Applying Ecological Interface Design for Modular Plants: Safety-Demonstrator Case Study
Abstract
1: Introduction
2: Development of Work Domain Analysis
3: Mock-up Interface Description
4: Conclusion
Acknowledgments:
References
Path-following for parametric MPCC: a flash tank case study
Abstract
1: Introduction
2: Background
3: Methodology
4: Case Study
5: Results
6: Conclusion
Acknowledgement:
References
Feature engineering for neural network-based oscillation detection in process industries
Abstract
1: Introduction
2: Dataset available
3: FFT-based Neural Network Approach for Oscillation Detection
4: FFT of ACF as input features
5: Conclusions
References
Multi-parametric Model Predictive Control Strategies for Evaporation Processes in Pharmaceutical Industries
Abstract
1: Introduction
2: Theoretical background
3: Results
4: Conclusions
Acknowledgments
References
Process as a battery: Electricity price based optimal operation of zeolite crystallization in a COBR
Abstract
1: Introduction
2: Process overview
3: Optimization problem
4: Results
5: Conclusion
Acknowledgement
References
Leveraging Deep Learning for Efficient Explicit MPC of High-Dimensional and Non-linear Chemical Processes
Abstract
1: Introduction
2: Problem statement
3: Proposed methodology
4: Applications
5: Conclusion
References
Incorporation of error propagation into an elemental balancing based soft-sensor for improved online monitoring of microbial fed-batch processes
Abstract
1: Introduction
2: Methods
3: Soft sensor
4: Results & Discussion
5: Conclusion & Outlook
References
In-silico Formulation of Iterative Learning Control for Chromatographic Purification of Biopharmaceuticals
Abstract
1: Introduction
2: Simulations and model formulation
3: Control algorithm
4: Concluding remarks
References
Application of Real-Time Optimization with Modifier Adaptation to the Reactive Extrusion of Hydrophobically Modified Ethoxylated Urethanes
Abstract
1: Introduction
2: Models and Method
3: Results
4: Conclusion
Acknowledgements
References
T5: Concepts, Methods and Tools
Development of a virtual platform for the metaheuristic optimization of heat exchangers
Abstract
1: Introduction
2: Heat exchanger design and optimization environment
3: Case studies and optimization problems
4: Results
5: Conclusion
Acknowledgements
References
Combining optimization and life cycle assessment: Design of low-carbon multi-energy systems in the SecMOD framework
Abstract
1: Introduction: Low-carbon industrial utility systems
2: Method: Utility system optimization considering life cycle indicators
3: Case Study: Integrating pumped thermal energy storage in a utility system
4: Results: Economically and environmentally optimal energy supply structure
5: Conclusions
Acknowledgments
References
Robust Design of Distributed Energy Systems Within Unbalanced Power Networks
Abstract
1: Introduction
2: Methodology
3: Case study
4: Results and Discussion
5: Conclusion
References
SCR: A novel surrogate-based global optimization algorithm for constrained black-box problems
Abstract
1: Introduction
2: SCR algorithm
3: Assessment of SCR performance on test functions
4: Optimization of a CO2 Purification Unit
5: Conclusion
References
Comparative Life Cycle Assessment of Demand-Side Management via Operational Optimization
Abstract
1: Introduction
2: LCA of demand-side management processes
3: LCA of the switchable chlor-alkali electrolysis
4: Results of the switchable chlor-alkali electrolysis
5: Conclusions
Acknowledgments
References
A rigorous synthesis and optimal design methodology for chemical and biochemical processes
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
Renewables-Based Multigeneration System for District Energy Supply
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
Topology-Based Construction of Business-Integrated Material Modelling Workflows
Abstract
1: Project Background
2: Business-to-Business process level
3: Business internal process level
4: Interoperability
5: Conclusion
Acknowledgments:
References
Investigation of optimal blending of livestock manures to produce biocrude via hydrothermal liquefaction
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
References
Systematic Pairing Selection for Economic-oriented Constraint Control
Abstract
1: Introduction
2: Problem Statement
3: Systematic Pairing Formulation
4: Numerical Results
5: Conclusion
Acknowledgment
References
Quality assessment for dynamic, hybrid semi-parametric state observers
Abstract
1: Introduction
2: State of the Art
3: Case study
4: Results and discussion
5: Conclusion
References
ANN-assisted optimization-based design of energy-integrated distillation columns
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
Application of multiplicative homomorphic encryption in process industries
Abstract
1: Introduction
2: Theoretical background
3: Methodology
4: Results and discussion
5: Conclusion
References
PPOPT - Multiparametric Solver for Explicit MPC
Abstract
1: Introduction
2: PPOPT Features
3: Applications
4: Conclusions
References
Improved Sequential Least Squares Programming–Driven Feasible Path Algorithm for Process Optimisation
Abstract
1: Introduction
2: Problem Statement
3: Improved Sequential Least Squares Programming Algorithm
4: Case Study
5: Conclusion
References
Parallel Simulated Annealing approach for optimal process plants instrumentation
Abstract
1: Introduction
2: Sensor Network Design Problem
3: PHSA solver
4: Experimental Design
5: Result Analysis
6: Conclusions
References
A sparse polynomial surrogate model for the shrinking core model in phosphate ore digestion
Abstract
1: Introduction
2: First-principles modelling of phosphate ore digestion
3: Surrogate modelling framework
4: Application of sparse polynomial interpolation in dissolution modelling
5: Results and discussions
6: Conclusions
References
On the use of data engineering and machine learning in global optimization applications with cutting plane approximations
Abstract
1: Introduction
2: Problem description and mathematical formation
3: Metrics and analytics in selecting cutting planes
4: Results
5: Conclusion
6. Acknowledgments
References
A systematic approach for the processing of experimental data from anaerobic syngas fermentations
Abstract
1: Introduction
2: Data curation and smoothing
3: Reconciliation of net conversion rates
4: Calculation of the dissolved gas concentrations
References
Process Systems Engineering prospects in Circular Economy implementation in industry
Abstract
1: Introduction and Rationale of the work
2: Process Systems Engineering and the Circular Economy
3: Research gaps and expected added value
4: Research questions, methods and tools
5: Industry 4.0 and PSE
6: Conclusions
References
Incremental financial analysis of black liquor upgraded gasification in integrated kraft pulp and ammonia production plants under uncertainty of feedstock costs and carbon taxes
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusion
References
A Capex Opex Simultaneous Robust Optimizer: Process Simulation-based Generalized Framework for Reliable Economic Estimations
Abstract
1: Introduction
2: Methods
3: Conclusions
References
A soybean supply chain model to analyze the greenhouse gas emissions of the transport sector
Abstract
1: Introduction
2: Methodology
References
Ontology for Enhanced Industrial Process Control
Abstract
1: Introduction
2: What you should know about Ontology Design in PSE
3: Case of Study: Batch Reactor Plant for I4.0
4: Conclusions
Acknowledgments
References
Complementing Natural Gas Driven Syngas with Optimum Blends of Gasified Biomass Waste
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
References
How tools and technologies can help drive sustainability
Abstract
1: Introduction
2: The Digital Twin
3: Unified Engineering
4: Process Simulation Lifecycle
5: Process Simulations for Sustainable Technology
6: Conclusion
References
The use of game theory in the analysis of marine lubricant markets in ports
Abstract
1: Marine lubricants and game theory
2: Market and problem description
3: Methodology and mathematical model
4: Results
5: Discussion
6: Conclusion
7. Acknowledgement
References
T6: Digitalization and Artificial Intelligence
Application of Outlier Treatment Towards Improved Property Prediction Models
Abstract
1: Introduction
2: Methods
3: Results
4: Discussion
5: Conclusion
References
Data-driven, Image-based Flow Regime Classification for Stirred Aerated Tanks
Abstract
1: Introduction
2: Problem description and test set up
3: Data preparation
4: Modelling
5: Evaluation and discussion
6: Conclusion
References
Data-driven modeling for physical property prediction of polypropylene composites using artificial neural network and principal component analysis
Abstract
1: Introduction
2: Method
3: Results and discussions
4: Conclusion
Acknowledgements
References
Optimization of the Wastewater Treatment Plant Aeration Using Artificial Neural Networks Models
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
The truncated Q statistic for Statistical Process Monitoring of High-Dimensional Systems
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgements
References
Development of a predictive emissions monitoring system using hybrid models with industrial data
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
References
On The Interpretability of Graph Neural Networks in QSPR Modeling
Abstract
1: Introduction
2: Method
3: Results and Discussion
4: Conclusions
References
Predictive Maintenance in the Digital Era
Abstract
1: Introduction
2: Case Study Data
3: Predictive Maintenance Methodology
4: Results
5: Conclusion
References
An evolutionary approach for techno-economic assessment
Abstract
1: Introduction
2: Problem statement
3: Fundamental modelling
4: Main results
5: Conclusions
References
Optimization of an artificial neural network structure for modelling carbon capture in spray columns
Abstract
1: Introduction
2: Dataset description and data preprocessing
3: ANN optimization description
4: Results
5: Conclusions
6. Acknowledgements
References
Hierarchical Statistical Process Monitoring based on a Functional Decomposition of the Causal Network
Abstract
1: Introduction
2: Methodologies
3: Results
4: Discussion
5: Conclusions
References
A Recurrent Neural Networks-Based Approach for Modeling and Control of a Crystallization Process
Abstract
1: Introduction
2: Neural Networks
3: Model Predictive Controller Design
4: Results and Discussion
5: Conclusion and Prospects
References
Lithium-air battery electrocatalyst identification using Machine Learning and SciBERT word embeddings
Abstract
1: Introduction:
2: Methodology:
3: Results:
4: Conclusion:
5: Future work:
References:
A digital twin-concept for smart process equipment assemblies supporting process validation in modular plants
Abstract
1: Introduction
2: Illustrative example
3: Requirements analysis
4: A linked-data-based digital twin concept for smart PEAs
5: Conclusion
Acknowledgement
References
Bayesian Optimization for techno-economic analysis of pressure swing adsorption processes
Abstract
1: Introduction
2: Optimization algorithms
3: PSA model
4: Case study
5: Result
6: Discussion
7: Conclusions
8.Acknowledgement
References
Online state of charge estimation of lithium-ion battery using surrogate model based on electrochemical model
Abstract
1: Introduction
2: Datasets
3: Method
4: Result
5: Conclusion
References
Machine-learning based prediction of infinite-dilution activity coefficients of ionic liquids using physicochemical properties
Abstract
1: Introduction
2: Data and method
3: Conclusion
References
The Impact of Reward Shaping in Reinforcement Learning for Agent-based Microgrid Control
Abstract
1: Introduction
2: An introduction to Q-learning and deep Q-learning
3: Analysis on the impact of reward shaping on implicit indicator
4: Conclusion
References
Knowledge mining from scientific literature for acute aquatic toxicity: classification for hybrid predictive modelling
Abstract
1: Introduction
2: Methods
3: Results and Discussion
4: Conclusions
References
Machine Learning for the prediction of the thermochemical properties (enthalpy and entropy of formation) of a molecule from its molecular descriptors
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
References
A Novel Machine Learning-Based Optimization Approach for the Molecular Design of Solvents
Abstract
1: Introduction
2: Method
3: Results and Discussion
4: Conclusion
References
A methodology for gray-box modeling of nonlinear ODE systems
Abstract
1: Introduction
2: Simulation model use case: Fermentation of a sporulating bacterium
3: Novel methodology for gray-box modelling of nonlinear ODE systems
4: Results
5: Conclusions and outlook
6. Acknowledgment
References
Optimal aeration of wastewater treatment plants based on recurrent neural networks and real plant data
Abstract
1: Main Text
2: Wastewater treatment plant
3: Training framework
4: Results and discussion
5: Conclusion and outlook
Acknowledgements
References
Soft Sensor of Key Components in Recirculating Aquaculture Systems, using Feedforward Networks
Abstract
1: Introduction
2: Process Description
3: Methodology
4: Results
5: Discussion
6: Conclusion
References
Interpretability of neural networks predictions using Accumulated Local Effects as a model-agnostic method
Abstract
1: Introduction
2: Accumulated Local Effects
3: Case study: Combined Cycle Power Plant
4: Results and discussion
5: Conclusion
References
Hybrid AI Models in Chemical Engineering – A Purpose-driven Perspective
Abstract
1: Introduction
2: Objectives of Hybrid Models
3: Conclusion & Future Perspectives
References
Determination of Adsorption Energies from DFT databases using Machine Learning techniques
Abstract
1: Introduction
2: Selection of descriptors of the metallic surface
3: Learning a model to predict adsorption energies
4: Conclusion
References
Probabilistic graphical models for the identification and analysis of reaction pathways in water treatment
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions and future work
References
Integrating autoencoder and heteroscedastic noise neural networks for industrial data analysis and soft-sensor design
Abstract
1: Introduction
2: Problem statement
3: Methodology
4: Results and Discussion
5: Conclusion
References
Economic risk analysis of emergent green hydrogen facilities – A Monte Carlo approach
Abstract
1: Introduction
2: Methods and tools
3: Case studies
4: Results and discussion
5: Conclusion and perspectives
References
Machine Learning-Based Surrogate Models and Transfer Learning for Derivative Free Optimization of HTPEM Fuel Cells
Abstract
1: Introduction
2: Transfer Learning
3: Data preparation
4: Few Shot Learning and Automated Machine Learning Framework
5: Derivative Free Optimization using MLBSMs
6: Results and Discussion
7: Conclusions
8. Acknowledgements
References
A Methodology for The Optimal Surrogate Modelling of Digital Twins Using Machine Learning
Abstract
1: Introduction
2: Data Generation
3: Modelling framework
4: Case study
5: Conclusions
References
Bayesian Neural Network-Based Calibration for Urban Air Quality Sensors
Abstract
1: Introduction
2: Methodology
3: Experiment
4: Results and Discussion
5: Conclusion
Acknowledgements:
References
Hyperconic Machine Learning to Predict Microbial Growth
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
T7: CAPE Applications Addressing Societal Challenges
Optimal Contract Selection for Contract Manufacturing Organisations in the Pharmaceutical Industry Under Uncertainty
Abstract
1: Introduction
2: Problem statement
3: Solution strategy
4: Application study
5: Conclusions
Acknowledgements
References
A Framework for Economic Optimization of Carbon Capture and Sequestration from Italian Industrial Sources Under Seismic Risk Constraints
Abstract
1: Introduction
2: Modelling framework
3: Mathematical formulation
4: Results
5: Conclusions
References
Energy-water Scheduling Decisions for Agricultural Scenario Planning
Abstract
1: Introduction
2: FEWN Framework Overview
3: Mathematical Modeling
4: Case Study
5: Conclusion
6. Acknowledgements
References
Optimizing the allocation of resources for the security of the water-energy-food nexus
Abstract
1: Introduction
2: Problem statement
3: Water- energy-food nexus optimization framework
4: Case study
5: Results
6: Conclusions
References
Application of CAPE Tools into Prospective Life Cycle Assessment: A Case Study in Recycling Systems Design of Lithium-Ion Battery
Abstract
1: Introduction
2: Materials and methods
3: Results and discussions
4: Conclusion
Acknowledgement
References
A Fair-Sustainable Approach for the Optimization of an Integrated Fuel Production System
Abstract
1: Introduction
2: System Description
3: Model Formulation
4: Results and Discussion
5: Conclusions
References
The advancement of zero-emission natural gas power plants and their role in future energy supply
Abstract
1: Introduction
2: Power cycles
3: Carbon capture technologies
4: Review of zero-emission natural gas power plant
5: The role of zero-emission natural gas power plants around the world
6: Conclusion
References
A Process Integration-Based Optimal Decarbonisation Policymaking Software Framework
Abstract
Introduction
1: Problem Statement
2: Mathematical Programming Formulation
3: Case Study
4: Conclusion
Acknowledgements
References
Interplaying of industry 4.0 and circular economy in cyber-physical systems towards the mines of the future
Abstract
1: Introduction
2: Mining challenges from a CE perspective
3: Sense, calculate, and actuate cycle within CPSs for mine-to-mill process
4: Discussion and conclusion
References
Environmental Impacts of Rice Husk-Derived Silica under Uncertainty: Is “Bio” better?
Abstract
1: Introduction
2: Life Cycle Assessment
3: Results
4: Conclusion
5. Acknowledgements
References
Economic Analysis of Novel Pathways for Recovery of Lithium Battery Waste
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
References
Sensitivity Analysis and Risk Assessment for the In-Silico Design and Use of Optimized Cell Factories in a Xylitol Biorefinery
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgments
References
Optimal design and planning of supply chains for viral vectors and RNA vaccines
Abstract
1: Introduction
2: Methodology
3: Application
4: Conclusions
References
Different approaches to epidemic modeling – The Covid-19 case study
Abstract
1: Introduction
2: Short-term pandemic models
3: Medium-term pandemic models
4: Long term predictions
5: Alternative vaccination policies
References
An integrated and sustainable Ethanol-Hydrogen-Ammonia-Urea plant
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
Acknowledgments
References
A methodology based on social life cycle assessment for social hotspots identification
Abstract
1: Introduction
2: Social Life Cycle Assessment
3: Results Analysis and Discussion
4: Conclusion
References
A game-theoretical approach for the analysis of waste treatment and circular economy networks
Abstract
1: Introduction
2: Games in extensive forms with complete information
3: Continuous games with multiple players
4: Results
5: Conclusions
6. Acknowledgments
References
T8: Education in CAPE and Knowledge Transfer
Agile Process Systems Engineering (PSE) education – 1. What should be taught to achieve desired outcomes mastery by graduates?
Abstract
1: Rationale and Background of the Work
2: Current Status and Contents in PSE Education
3: Survey Content and Methodology
4: Survey Results
5: Discussion of the results
6: Conclusions
References
You have nothing to lose: Worry-free flipping for PSE
Abstract
1: Introduction
2: The Link Between Active Learning and Learning Outcomes
3: Flipped-class Enabled Active Learning
4: Class Experience with the Teaching Method
5: Conclusions
References
Agile Process Systems Engineering (PSE) education – 2. How to teach to achieve desired outcomes mastery by graduates
Abstract
1: Introduction
2: Teaching PSE using Active Learning
3: Method
4: Analysis
5: Responder Opinions Summarized and Conclusions
References
Decision-making framework for improved educational resilience under pandemic events
Abstract
1: Introduction
2: Educational resilience
3: Educational resilience framework
4: Illustrative example
5: Remarks and future guidelines
References
Teaching courses heavily dependent on computational resources to STEM students during Pandemics
Abstract
1: Introduction
2: What was tried
3: Some results and comments
4: Conclusion
Acknowledgments
References
Author Index

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Ludovic Montastruc

Stephane Negny