32nd European Symposium on Computer Aided Process Engineering

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