33rd European Symposium on Computer Aided Process Engineering

ESCAPE-33

1st Edition, Volume 52 - July 18, 2023
Editors: Antonios C. Kokossis, Michael C. Georgiadis, Efstratios Pistikopoulos
Language: English
Hardback ISBN:
9 7 8 - 0 - 4 4 3 - 1 5 2 7 4 - 0
eBook ISBN:
9 7 8 - 0 - 4 4 3 - 1 5 2 7 5 - 7

33rd European Symposium on Computer Aided Process Engineering: ESCAPE-33, Volume 52 contains the papers presented at the 33rd European Symposium of Computer-Aided Process Engine… Read more

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33rd European Symposium on Computer Aided Process Engineering: ESCAPE-33, Volume 52 contains the papers presented at the 33rd European Symposium of Computer-Aided Process Engineering (ESCAPE) event held in Athens, Greece. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students and consultants in the chemical industries.

Cover image
Table of Contents
Copyright
Preface
Local Organizing Committee
Copyright
Copyright
Copyright
T1: Modelling and optimization for multi-scale integration
An exploratory model-based design of experiments technique to aid parameters identification and reduce prediction uncertainty
Abstract
1: Introduction
2: Methods
3: Results and discussion
Conclusion
References
GHG emission reduction via multiple fuel options in carbon-constrained industrial clusters
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusion
References
An optimization-free Fisher information driven approach for online design of experiment
Abstract
1: Introduction
2: Proposed framework and methodologies
3: Case study description
4: Results
5: Conclusion
Acknowledgment
References
A Python-based approach for thermodynamic consistency tests of binary VLE data
Abstract
1: Introduction
2: Theoretical background of the thermodynamic consistency tests
3: Implementation of the thermodynamic consistency tests
4: Conclusion and future perspectives
References
Modelling building’s life-cycle decarbonization in China: A multi-level and multi-region optimization approach
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusions
References
Automated Kinetic Model Discovery – A Methodological Framework
Abstract
1: Introduction
2: Methodological Framework
3: Kinetic Case Study
4: Results and Discussion
5: Conclusions and Outlook
References
Assessing process systems models for pharmaceutical development
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusions
Acknowledgements
References
Simulation and optimisation of a medium scale industrial reverse osmosis desalination system
Abstract
1: Introduction
2: Description of BWRO desalination system
3: Modelling of BWRO desalination system
4: Simulation of BWRO desalination system
5: Optimisation of BWRO desalination system
6: Conclusions
References
Modeling strategies in multi-scale food-energy-water nexus system optimization
Abstract
1: Introduction
2: System Under Investigation
3: Modeling
4: Results and Discussion
5: Conclusion
6: Acknowledgments
References
Multi-Fidelity Surrogate Modeling for Chemical Processes with Physics-Informed Neural Networks
Abstract
1: Introduction
2: Numerical Simulation
3: Multi-Fidelity Surrogate Model base on PINN
4: Case Study
5: Conclusions
Acknowledgment
References
A CFD-model-based approach to continuous freezing process design for human induced pluripotent stem cells
Abstract
1: Introduction
2: Continuous freezing processes for hiPS cells
3: Process model
4: Results and discussion
5: Conclusions and outlook
Acknowledgements
References
Multiscale Modeling of Spatial Area-Selective Thermal Atomic Layer Deposition
Abstract
1: Introduction
2: Multiscale Simulation
3: Results
4: Conclusion
References
Modeling the shrinkage effect during the drying process of a green ceramic material
Abstract
1: Introduction
2: Mathematical model
3: Solution Strategy
4: Model Validation
5: Parameter Estimation
6: Results and Discussion
7: Conclussions
Acknowledgments
References
Investigating physics-informed neural networks for bioprocess hybrid model construction
Abstract
1: Introduction
2: Problem Statement
3: Methodology
4: Results and Discussion
5: Conclusion
References
Decision Making Approaches to Improve Resilience in Food Supply Chains and Enhance Food Security Against Climate Change Risks
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
5: Acknowledgments
References
Lot-sizing and Production Scheduling of a Beverage Industry
Abstract
1: Introduction
2: Problem Statement
3: Mathematical framework
4: Results & Discussion
5: Conclusions
Acknowledgements
References
Modeling and Analysis of Clinical & Municipal Waste Incineration Process using Aspen Plus
Abstract
1: Introduction
2: Methodology
3: Result & Discussion
4: Conclusion
Acknowledgements
References
On the minimization of cycle time in periodic production scheduling
Abstract
1: Introduction
2: Periodic Scheduling Set-up
3: Algorithmic Approach
4: MILP Approach
5: Examples
6: Conclusions
References
Non-Pareto optimal solutions as enablers for versatile heat exchanger networks
Abstract
1: Introduction
2: Methods
3: Use Case
4: Results
5: Conclusion
6: Acknowledgment
Appendix
References
Enhanced Automatic Initialization Method for Solving Large Nonlinear Algebraic Systems
Abstract
1: Motivation
2: Notation
3: Hybrid Approach
4: Computer Experiments
5: Conclusion
References
Electroplating scheduling: Closing a research gap from an automation vendor’s perspective
Abstract
1: Electroplating scheduling
2: State of research and technology
3: Automation vendor’s perspective
4: Research gap
5: Approach
6: Outlook
References
Real time prediction of ozone pollution using data-enabled deep learning modeling
Abstract
1: Introduction
2: Description of the model
3: Results and discussions
4: Conclusions
References
Numerical Study of a Single-Spout and Z-shaped Fluidized Bed Biomass Gasifier
Abstract
1: Introduction
2: Mathematical modeling
3: Single-spout and Z-shaped fluidized bed system
4: Conclusion
Acknowledgement
References
Intensification of ATJ Process Using Catalytic Distillation, Optimization Considering Control and Economic Issues
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Efficient physical model building algorithm using equations extracted from documents
Abstract
1: Introduction
2: Methods
3: Experiments
4: Conclusion
Acknowledgments
References
Developing a rigorous chemical reaction network reduction strategy for n-hexadecane hydroisomerisation
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
Troubleshooting high-pressure issues in an industrial biorefinery process by feature-oriented modeling
Abstract
1: Introduction
2: Materials and methods
3: Results
4: Conclusions
References
Optimal Determination of the Binary Interaction Parameters for the Vapor-Liquid-Liquid Equilibrium on the Vinyl Acetate/Acetic Acid/Water System
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
Assessment of subgrid-scale models for large-eddy simulation of a gas-liquid stirred reactor
Abstract
1: Introduction
2: Physical model of the preneutralizer
3: Mathematical modeling and numerical schemes
4: Results and analysis
5: Conclusion
References
Mechanistic model for inkjet printing and applications in perovskite solar cells engineering
Abstract
1: Introduction
2: Model Description
3: Results
4: Conclusions
5. Acknowledgements
References
Modeling and Optimization of Low-carbon Oriented Urban Energy Systems Spatial Planning Considering Energy Networks Topology
Abstract
1: Introduction
2: Methodology
3: Case study
4: Conclusions
References
Multi-objective optimisation for microbrewery retrofitting
Abstract
1: Introduction
2: Case study description
3: Methodology
4: Optimisation results
5: Conclusion
References
Thermodynamic equilibrium modelling for the optimal performance of a wood biomass downdraft gasifier for hydrogen production
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion:
References
A model predictive control approach for recirculating aquaculture systems integrated with sustainable hybrid energy systems
Abstract
1: Introduction
2: Model formulation
3: Case study
4: Conclusion
References
Multi-stage optimization for marketing industrial flexibility
Abstract
1: Introduction
2: Leveraging Energy Markets
3: Modelling Approach
4: Use Case
5: Conclusion
Acknowledgement
References
Intelligent Process Flowsheet Synthesis and Design using Extended SFILES Representation
Abstract
1: Introduction
2: Current state of flowsheet representation: SFILES
3: Extended SFILES (eSFILES)
4: Conclusions
References
Physics-informed Neural Network based Modeling of an Industrial Wastewater Treatment Unit
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
Approaches to Reduce Optimization Time for Stochastic Optimization of Complex Chemical Processes
Abstract
1: Introduction
2: Methodology
3: Case Studies
4: Conclusion
References
Design of a CO2 capture plant: A sustainable approach using deep eutectic solvents
Abstract
1: Introduction
2: Study Case
3: Results
4: Conclusions
References
Optimal Retrofitting of Conventional Oil Refinery into Sustainable Bio-refinery under Uncertainty
Abstract
1: Introduction
2: Problem Statement
3: Mathematical Formulation
4: Results and Discussion
5: Conclusion
Appendix
References
A Combined D-optimal and Estimability Model-Based Design of Experiments of a Batch Cooling Crystallization Process
Abstract
1: Introduction
2: Methodology
3: Results & Discussion
4: Conclusions
References
A novel mathematical formulation for short-term scheduling of multipurpose batch plants in chemical manufacturing
Abstract
1: Introduction
2: Problem statement and material transfer
3: Mathematical model
4: Computational studies
5: Conclusion
Acknowledgement
References
Heat integration and heat exchanger network design for oxyfuel cement plants
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusion
Acknowledgements
References
Technological Portfolio Optimisation for de-risking within the energy, water and food nexus
Abstract
1: Introduction
2: Dynamic decision-making framework for EWF Nexus
3: Result and Discussion
4: Conclusion
Acknowledgments
References
Prediction of Melt Flow Rate (MFR) in polymer production, with auto-regressive Machine Learning algorithms, for multivariate time-series measured in irregular timestamps
Abstract
1: Introduction
2: Specific Challenges
3: Computational Approach
4: Results
5: Conclusions
Acknowledgements
References
Achieving Operational Excellence by Combining Material Tracking and On-line Polymer Analysis and Classification data in an all-in-one Integrated Decision Support System
Abstract
1: Introduction
2: Method
3: Case Study Results and Discussion
4: Conclusions
Acknowledgement
References
Markov Chain Monte Carlo simulation-based optimization for a production scale milk drying process
Abstract
1: Introduction
2: Materials and methods
3: Results and discussion
4: Conclusions
References
Polymer Grade Transition Control via Reinforcement Learning Trained with a Physically Consistent Memory Sequence-to-Sequence Digital Twin
Abstract
1: Introduction
2: Memory Layer Sequence-to-Sequence Model
3: Nonlinear Model Predictive Control
4: Reinforcement Learning Control
5: Results
6: Conclusion
Acknowledgment
References
A Rolling Horizon Approach for Ethylene Production Scheduling with Daily Inventory Constraints
Abstract
1: Introduction
2: Problem statement
3: Methods
4: Case study
5: Conclusion
References
Simulation and optimization of fixed bed and moving bed TSA processes for post-combustion CO2 capture.
Abstract
1: Introduction
2: Cycle design
3: Model equations
4: Results and discussion
5: Conclusions
Acknowledgements:
References
AI-enhanced BoM Optimization with MILP for the EMS Industry
Abstract
1: Introduction
2: Problem Statement
3: Models and Architecture
4: Case Study
5: Conclusions
References
Reduced cleaning model for highly viscous non-Newtonian fluids in pipelines
Abstract
1: Introduction
2: Problem description
3: Reduced Model
4: Results
5: Conclusion and Outlook
References
Optimal Retrofit of Simple Distillation Sequences to Thermally Coupled Side-Stream Configurations
Abstract
1: Introduction
2: Methods
3: Case Study
4: Conclusion
References
Computer aided-design of energy efficiency tools on a microalgae biorefinery scheme
Abstract
1: Introduction
2: Modelling and simulation of microalgae biorefinery
3: Assessment of the biorefinery scheme
4: Analysis of results
5: Conclusions
Acknowledgments
References
Optimization of Simulated Moving Bed Chromatographic Processes using Surrogate Models
Abstract
1: Introduction
2: Description of the Optimization Problem
3: Surrogate Model
4: Results and Conclusion
References
Multi-Objective Model-based Design of Experiments of Pharmaceutical Tableting Process
Abstract
1: Introduction
2: Model and methods
3: Results and discussions
4: Conclusion
Acknowledgements
References
Water bodies restoration as an optimal control problem with integrated internal and external strategies. The inclusion of artificial floating islands
Abstract
1: Introduction
2: Case Study
3: Mathematical Model description
4: Optimization Problem
5: Numerical Results
6: Conclusions
References
Developing robust hybrid-models
Abstract
1: Introduction
2: Serial semi-parametric hybrid-modelling
3: Case Study: Synthetic CSTR
4: Robustness
5: Conclusion
Acknowledgements
References
A gPC-based Global Sensitivity Analysis for Phosphate Slurry Flow in Pipelines
Abstract
1: Introduction
2: Polynomial Chaos Expansion for Sensitivity Analysis
3: CFD modeling procedure
4: UQ methodology
5: Results and discussion
6: Conclusion
References
Hybrid dynamic model of monoclonal antibody production using CHO cells
Abstract
1: Introduction
2: Methodology
3: Results
4: Concluding Remarks
Acknowledgements
References
Combined Bayesian optimization and global sensitivity analysis for the optimization of simulation-based pharmaceutical processes
Abstract
1: Introduction
2: Materials & Methods
3: Results & Discussion
4: Conclusions
Acknowledgements
References
Competitive adsorption of copper, nickel, and chromium ions onto EDTA modified SBA-15
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussion
4: Conclusions
References
Auto-extractive reactive distillation for the production of fatty esters
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
Long-term Capacity Management of Pharmaceutical Manufacturing Networks
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusion and Perspectives
References
Modeling of a trickle bed reactor: Study of arabinose oxidation on gold catalyst extrudates
Abstract
1: Introduction
2: Materials and methods
3: Results and discussion
Acknowledgment
References
Numerical simulation of flow in porous media using the SPH method and Ergun force
Abstract
1: Introduction
2: The SPH Numerical Model
3: Validation test
4: Comparative cases
5: Conclusions
References
Impact of structural change in electricity and hydrogen end use on low-carbon transition of an energy system: A case study of China
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusions
References
Optimal planning for thermal power plants with CCS under source–sink matching constraints: A case study of China
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusions
References
On discrete time chemical production scheduling MILP models containing record keeping variables
Abstract
1: Introduction
2: Preliminaries
3: Batch Processes
4: Continuous Processes
5: Conclusion
References
ESTAN – A toolbox for global sensitivity based estimability analysis
Abstract
1: Introduction
2: ESTAN structure
3: Case studies
4: Results and discussion
5: Conclusion
References
Multi-technology separation network synthesis
Abstract
1: Introduction
2: Framework
3: Examples
4: Conclusion
References
A Reinforcement Learning Development for The Exact Guillotine with Flexibility on Cutting Stock Problem
Abstract
1: Introduction
2: Method
3: Results and discussion
4: Conclusion
References
Real-time optimization of a chemical plant with continuous flow reactors via reinforcement learning
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgements
References
From problem specification to converged flowsheet simulations: Integrated workflow in an industrial context
Abstract
1: Introduction
2: Method
3: Case Study
4: Conclusion and outlook
References
A Hybrid Modelling Framework for Dynamic Modelling of Bioprocesses
Abstract
1: Introduction
2: Hybrid modelling framework
3: Case study –Microalgae Cultivation
4: Results and Discussion
5: Conclusion
References
Simultaneous selection and optimization of reaction pathways and downstream separation network
Abstract
1: Introduction
2: Methodology
3: Case study
Conclusions
References
Workflow for adaptation, analysis and application of mechanistic models for experimental planning of protein refolding processes
Abstract
1: Introduction
2: Methods
3: Results & Discussion
4: Conclusion
5 Acknowledgements
References
Mechanistic modeling of product formation in recombinant Escherichia coli cultivations
Abstract
1: Introduction
2: Methods
3: Results & Discussion
4: Conclusion
5. Acknowledgments
References
Physics-informed neural networks for optimization of polymer reactor design
Abstract
1: Introduction
2: Methodology
3: Results
Conclusion
Notation
References
Extending the SI Decomposition to Continuous-Time Two-Stage Scheduling Problems
Abstract
1: Introduction
2: Similarity Index in Continuous-Time Formulations
3: SI-PH Decomposition
4: Case Study
5: Preliminary results
6: Summary
Acknowledgments
References
Modelling of water vapor adsorption/desorption on hopcalite in an industrial medical air dryer
Abstract
1: Introduction
2: Adsorption isotherms
3: Dynamic adsorption/desorption modeling
4: Results and discussion
5: Conclusions
References
Multi-fidelity Bayesian Optimisation of Reactor Simulations using Deep Gaussian Processes
Abstract
1: Introduction
2: Method
Experimental Results
4: Conclusions
Acknowledgements
References
Design of a sustainable biodiesel production process by a multi-objective optimization
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Modeling of an Industrial Delayed Coker Unit
Abstract
1: Introduction
2: Process Description
3: Delayed Coker Furnace Model
4: Coker Drum Model
5: Results
6: Conclusion
References
A sustainable energy supply system in smart cities: an integrated natural gas and electricity network operation
Abstract
1: Introduction
2: Problem Formulation
3: Numerical results and discussion
4: Conclusion
References
A hybrid forecasting framework for the energy sector
Abstract
1: Introduction
2: Hybrid Forecasting Framework for the Energy Sector
3: Data Preprocessing and Evaluation Metrics
4: Results
5: Conclusions
6: Acknowledgments
References
A Chance-Constrained Programming Approach to Optimal Planning of Low-carbon Transition of a Natural Gas Supply System: A Case Study of China
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusions
References
Efficient 1D modelling of hot melt extrusion process for pharmaceutical applications
Abstract
1: Introduction
2: 1-D model of the HME process
3: Case study and discussion
4: Summary and Conclusions
Acknowledgement
References
Towards Machine Learning of Power-2-Methanol Processes
Abstract
1: Introduction
2: Materials and Methods
3: Numerical Experiments
4: Results
5: Conclusion
Acknowledgments
References
Water resource portfolio design for optimum water productivity in agriculture
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
5 Acknowledgement
References
S-GNN: State-Dependent Graph Neural Networks for Functional Molecular Properties
Abstract
1: Introduction
2: S-GNN
3: Case study: modeling of 13 temperature-dependent properties
4: Conclusions
References
Switching Multi-Objective Dynamic Optimization (MODO) for the Production of Value-Added Products
Abstract
1: Introduction
2: Multi-Objective Dynamic Optimization as Control Strategy
3: Multi-objective Dynamic Optimization in Biomethanation Process
4: Conclusion
References
Dynamic modeling of a waste incinerator furnace in view of supervision
Abstract
1: Introduction
2: Literature survey
3: Proposed model
4: Results and discussion
5: Conclusion and perspectives
References
Reinforcement learning combined with model predictive control to optimally operate a flash separation unit
Abstract
1: Introduction
2: Background on surrogate modelling for dynamic systems
3: Q-Learning for parameterized MPC structures
4: MPC parameter optimization with RL on a flash simulation
5: Conclusion
Acknowledgements
References
Architecture and Design of a Modern Commercial Process Simulator
Abstract
1: Introduction
2: Properties of a Next-Generation Simulator
3: Experiences in Developing a Next-Generation Simulator
4: Conclusion
References
High and Robust Fault Detection via Polynomial Approximated Isomap Embeddings
Abstract
1: Introduction
2: Dimensional Reduction Tools used in SPM
3: Principal Fault Detection Indices in SPM
4: The Proposed Method: dICApIso-PCA
5: Results and Discussion
References
A comparative study of distributed feedback-optimizing control strategies
Abstract
1: Introduction
2: Feedback-optimizing control
3: Simulation descriptions
4: Results and Discussion
5: Conclusion
References
Superstructure configuration and optimization of the biofuel production perspectives in Austria
Abstract
1: Introduction
2: Problem Statement
3: Model Formulation
4: Results & Discussions
5: Conclusions
6. References
Optimal operation of an industrial low pressure carburizing furnace
Abstract
1: Introduction
2: Materials and methods
3: Formulation of the optimization problem
4: Results and discussion
5: Conclusions
References
Development of a holistic Python package for optimal selection of experimental design criteria in kinetic model discrimination
Abstract
1: Introduction
2: Model Identification using Model-Based Design of Experiments
3: Comparative Study
4: Conclusion
References
A Model-based Computational Approach to Optimal Design of Nose-to-Brain Drug Delivery Systems
Abstract
1: Introduction
2: Model-based optimal design of drug-loaded polymeric carriers
References
Global estimability analysis and model-based design of experiments in surrogate modeling
Abstract
1: Introduction
2: Models and methods
3: Results and discussion
4: Conclusion
References
Tractable Data-driven Solutions to Hierarchical Planning-scheduling-control
Abstract
1: Introduction
2: Methodology
3: Results
4: Discussion
5: Conclusion
References
A graph classification approach to determine when to decompose optimization problems
Abstract
1: Introduction
2: Graph representation of an optimization problem
3: Algorithm selection via graph classification
4: Deciding when to decompose convex MINLPs
5: Conclusions
6: Acknowledgment
References
An Enhanced Group-Interaction Contribution Method for the Prediction of Freezing Point and Enthalpy of Fusion for Pure Organic Compounds
Abstract
1: Introduction
2: Models development
3: Results and discussion
4: Conclusion
5. References
Single and Multi-Objective Superstructure Optimization of an Integrated Continuous Multistage Reaction-Crystallization-Filtration Process with Recycles
Abstract
1: Introduction
2: Method
3: Results and discussion
4: Conclusion
Acknowledgements
References
Prediction of product distribution using machine learning techniques
Abstract
1: Introduction
2: Methane chlorination process simulation
3: Machine learning models
4: Conclusions
References
Architectural Design of Chemical and Biological Pathways through Parameter Sensitivity Oriented Mixed Integer Formulations
Abstract
1: Introduction
2: Methodology
3: Results
4: Discussion
References
Data-driven fouling modeling in crude oil heat exchanger
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussion
4: Conclusions
References
Explainable formation energy prediction for uncovering the relationship between the electronic structure and stability of the heterogeneous catalyst
Abstract
1: Introduction
2: Results
3: Conclusion and Future Works
References
Modular stochastic optimization for optimal rainwater harvesting system design
Abstract
1: Introduction
2: Methods
3: Results
4: Conclusions
Acknowledgements
References
Knowledge-based model and simulations to support decision making in wastewater treatment processes
Abstract
1: Introduction
2: A 1-D schematic representation of the clarifier
3: A 1-D dynamic model of the clarifier
4: Numerical discretization scheme
5: Simulation of a transient state experiment of continuous settling
6: Conclusions
Acknowledgements
References
Homotopic Method for binodal curves computation in ternary liquid-liquid separation
Abstract
1: Introduction
2: Binodal and spinodal curves: thermodynamics vs. geometry
3: Case study: Flory-Huggins parameters of water-acetone-hexadecane
4: Conclusion
References
Modelling of iron oxide reduction with hydrogen
Abstract
1: Introduction
2: Materials and methods
3: Results
4: Conclusions
Acknowledgement
References
Parameter estimation approach applied to microalgae-bacteria photobioreactor
Abstract
1: Introduction
2: Methodology for parameter estimation
3: Results
4: Conclusions
5. Acknowledgments
References
An Event-Based Continuous-Time MILP for Short-Term Crude Oil Scheduling
Abstract
1: Introduction
2: Model Formulation and Problem Definition
3: Results and Discussions
4: Conclusion
References
Modeling aqueous multi-electrolyte systems for the simulation and optimization of concentrated brine processes
Abstract
1: Introduction
2: Thermodynamic Modeling Framework
3: Methodology
4: Results
4: Conclusion
Acknowledgments
References
Stable two-stage scenario generation via game-theoretic optimisation
Abstract
1: Motivation
2: Preliminaries and literature review
3: Methodology and mathematical developments
4: Case Study
5: Conclusions and future directions
Acknowledgements
References
Global One-dimensional Root-finding Algorithm for Derivable and Continuous Functions
Abstract
1: Introduction
2: Method
3: Results & Discussion
4: Conclusions
References
A Demethanizer column Digital twin with non-conventional LSTM neural networks arrangement
Abstract
1: Introduction
2: Process Description
3: Methods
4: Results
5: Conclusions
References
Soft modelling of spruce conversion into bio-oil through pyrolysis – Note I: steam explosion and LPMO-activated enzymatic saccharification
Abstract
1: Introduction and context
2: Purpose and material
3: Implementation
4: Sensitivity analysis and results
5: Conclusions and comments
Acknowledgements
References
Molecular Modelling and Optimization of Diesel Hydrotreating Processes
Abstract
1: Introduction
2: Methodology
3: Case study
4: Results and Discussion
5: Conclusion
References
Soft modelling of spruce conversion into bio-oil through pyrolysis – Note II: pyrolysis
Abstract
1: Introduction
2: Materials and methods
3: Model equations and implementation
4: Results
5: Conclusions
Acknowledgements
References
Numerical Modeling of Gas-liquid Hydrodynamics in a U-loop Bioreactor
Abstract
1: Introduction
2: Materials & Methods
3: Results and Discussion
4: Conclusion
Reference
Effect of vaporisation models on the FCC riser modelling
Abstract
1: Introduction
2: Model Description
3: Results
4: Conclusions
References
A joint model-based design of experiments approach for the identification of Kriging models in geological exploration
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusions
References
Reinforcement Learning for inventory management in multi-echelon supply chains
Abstract
1: Introduction
2: Reinforcement Learning and Derivative Free Optimization
3: Case Study
4: Conclusions
References
Monte Carlo Simulation of Photo Induced Atom-Transfer Radical Polymerization for Microscopic Properties
Abstract
1: Introduction
2: PhotoATRP systems
3: Dynamic Monte Carlo simulation
4: Results and discussions
5: Conclusions
Acknowledgments
References
Identification of a dynamic model of the N-vinylcaprolactam-co-glycidyl methacrylate microgel synthesis
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussion
4: Conclusions
References
A Machine Learning-assisted Hybrid Model to Predict Ribbon Solid Fraction, Granule Size Distribution and Throughput in a Dry Granulation Process
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
Acknowledgement
References
A Data-driven Modeling Approach for Water Flow Dynamics in Soil
Abstract
1: Introduction
2: FVM Discretization
3: Data-Driven Global Random Walk Algorithm
4: An Illustrative Case Study
5: Conclusion
References
Numerical Simulation of No-Newtonian Fluids in Stirred-Tank with proximity impellers
Abstract
1: Introduction
2: The SPH numerical model
3: Geometry and impellers design
4: Study Cases
5: Results
6: Conclusions
References
Hybrid Dynamic Surrogate Modelling for a Once-Through Steam Generator
Abstract
1: Introduction
2: Once-Through Steam Generators
3: Surrogate Modelling Techniques
4: Results
5: Discussion
Acknowledgments
References
PINN-based Design of Experiment Concept for Process Model Parameter Identification
Abstract
1: Introduction
2: Methodology
3: Case study
4: Conclusions
Acknowledgements
References
Performance analysis of virtual platforms focused on multi-objective process optimization
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgments
References
Mathematical Modeling of Anion Exchange Membrane Water Electrolyzer
Abstract
1: Introduction
2: Mathematical model
3: Results and discussion
References
An Aided Optimization Method for Molecular Reconstruction of Crude Oil Based on Pre-optimized Dataset
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
References
A Global Optimization Algorithm for the Solution of Mixed-Integer Quadratic Adjustable Robust Optimization Problems under Endogenous Uncertainty
Abstract
1: Introduction
2: ARO through multi-parametric programming
3: Numerical Examples
4: Computational Implementation
5: Conclusion
References
Cross-domain Fault Diagnosis for Chemical Processes through Dynamic Adversarial Adaptation Network
Abstract
1: Introduction
2: Dynamic Adversarial Adaptation Network
3: Case Studies
4: Conclusions
References
Design and performance analysis of energy efficient hydrogen liquefaction process
Abstract
1: Introduction
2: H2 liquefaction process
3: Results and discussion: Process analysis
4: Conclusions
References
Optimal design of a microbubble cap to enhance mass transfer efficiency using image processing
Abstract
1: Introduction
2: Methodology
3: Results and Discussions
4: Conclusion
Acknowledgment
References
Design of a heterogeneous azeotropic distillation processes using stochastic optimization
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
Single and multi-objective optimization of heat integrated distillation columns using PYMOO
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
Design of multi-component gradient SMBs
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
Acknowledgements
References
A Method for Finding a Design Space as Linear Combinations of Parameter Ranges for Biopharmaceutical Development
Abstract
1: Introduction
2: Method
3: Results
4: Conclusion
5. Acknowledgements
References
Optimal operation of large gas networks: MILP model and decomposition algorithm
Abstract
1: Introduction
2: Problem statement
3: Optimization model
4: Decomposition algorithm
5: Results
6: Conclusions
References
An Integrated Framework for the Geometric Optimization of Bio-catalytic Microreactor
Abstract
1: Introduction
2: Reaction
3: Reactor
4: Integrated framework
5: Analysis and discussion
6: Summary
References
A genetic algorithm-active learning approach in energy systems optimization
Abstract
1: Introduction and state-of-the-art
2: Methodology
3: Results and Discussion
4: Conclusions
References
Data-driven Distributionally Robust Joint Chance-Constrained Optimization for Industrial Utility systems under Uncertainty
Abstract
1: Background
2: Deterministic Multi-objective Model Based on Life Cycle Assessment
3: Data-Driven DRJCC Model for the Utility System
4: Case study
5: Conclusion
Acknowledgment
References
Online real-time multi-parameter optimization solution based on parallel EGO algorithm
Abstract
1: Introduction
2: Parallel EGO algorithm
3: Numerical experiments
4: Multi-parameter optimization of two-stage ammonia absorption refrigeration
5: Conclusions
References
Optimal design of Water Treatment Networks: effluent and piping disaggregated modelling
Abstract
1: Introduction
2: WTN disaggregated model
3: Piping investment and operational expenditures
4: Application Examples
Conclusion
Acknowledgments
References
Evaluation of the potential of a deep eutectic solvent for liquid-liquid extraction of furfural using optimization-based process design
Abstract
1: Introduction
2: Methodology
3: Process Optimization
4: Conclusion & Outlook
References
Profit Allocation in Industrial Symbiosis Networks: Utility Exchanges
Abstract
Introduction
Problem Statement
Methodology
Cooperative Game Theory and Profit Allocation:
Case Study
Results and Discussion
Conclusions
Acknowledgements
References
Operational optimisation of steam power system under uncertainty using time series prediction optimization model with Markov chain
Abstract
Introduction
1: Methodology
2: Case study
3: Conclusion
References
An approach for modelling simultaneous fluid-phase and chemical-reaction equilibria in multicomponent systems via Lagrangian duality: The Reactive HELD algorithm.
Abstract
1: Introduction
2: A phase stability criterion for systems at chemical equilibrium
3: The reactive HELD (R-HELD) algorithm for reacting systems
4: Results
5: Conclusions and outlook
Acknowledgments
References
Optimization of the Biomass Supply Chain for Power Generation with the Steam Rankine Cycle
Abstract
1: Introduction
2: Methodology
3: Case Study and Results
4: Conclusions and Recommendations
Acknowledgments
References
Hybrid modelling and data-driven parameterization of monoclonal antibody cultivation processes: Shifts in cell metabolic behavior
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
Acknowledgements
References
Optimal Design of Anion-pillared Metal-organic Frameworks for Gas Separation
Abstract
1: Introduction
2: Workflow of Anion-pillared MOF Design
3: Build Blocks Construction
4: Design of anion-pillared MOFs for PA/PE separation
5: Conclusions
References
Probabilistic neural networks for mechanical properties and tensile behavior prediction of polymer composites considering uncertainty in tensile testing
Abstract
1: Introduction
2: PMC Tensile Test Data
3: Feature Engineering
4: Design of Prediction Model
5: Results
6: Discussion
7: Conclusions
References
Data-Driven Indication of Flooding in an Industrial Debutanizer Column
Abstract
1: Introduction
2: Problem Statement
3: Methodology
4: Results
5: Conclusions
References
Can we deploy carbon capture, utilization and storage at a scale?
Abstract
1: Introduction
2: Multiscale modelling methodology
3: Preliminary Results
4: Conclusion
5: Acknowledgements
References
Prediction of capacitance using artificial neural networks for carbon nanofiber-based supercapacitors
Abstract
1: Introduction
2: Material and methods
3: Results and Discussion
4: Conclusion
References
Model size determination using data analysis tools in the context of reaction network identification
Abstract
1: Introduction
2: Methods considered
3: Case study
4: Conclusions
References
Modeling of particle formation in pan granulators with sieve-mill recycle
Abstract
1: Introduction
2: Process Model
3: Results
4: Summary and Outlook
References
Synthesis and optimization of NGL separation as a complex energy-integrated distillation sequence
Abstract
1: Introduction
2: Problem statement
3: Methodology and optimization approach
4: Results and discussion
5: Conclusions
References
Multi-scale model of solid oxide fuel cell: enabling microscopic solvers to predict physical features over a macroscopic domain
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
Parameter estimation combined with model reduction techniques for identifiability analysis of biological models
Abstract
1: Introduction
2: Parameter estimation methods
3: Case studies
4: Discussion and conclusions
References
Improving Model Robustness with Transfer Learning for Product Property Models
Abstract
1: Background
2: Methodology
3: Datasets
4: Results & Discussion
5: Conclusion
References
Modeling and simulation approach for modularized hydrogen electrolyzer plants
Abstract
1: Introduction
2: Theory
3: Case study
4: Conclusion
Acknowledgements
References
Design and optimization of a shared heat exchanger network for an integrated rSOC system
Abstract
1: Introduction
2: System and methodology description
3: An integrated heat exchanger system design
4: Conclusion
References
Multi-objective optimisation of the algae Arthrospira platensis under uncertainty: a Pareto ellipsoids approach
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
Acknowledgement
References
Predicting the Evolution of Flammable Gases During Li-ion Battery Thermal Runaway Using Micro-Kinetic Modelling
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
5: Conflicts of Interest & Acknowledgements
References
Modeling of carbon offset networks for process systems to achieve net zero emissions
Abstract
1: Introduction
2: Proposed Method
3: Case Study
4: Conclusions
Acknowledgements
References
Identifying first-principles models for bubble column aeration using machine learning
Abstract
1: Introduction
2: Problem Description
3: Methods
4: Results
5: Conclusion
Acknowledgements
References
Optimization framework based on a sensitivity analysis for the identification of the critical design variables
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
5: Acknowledgments
6. References
Effect of coalescence models on the prediction of the separation of dispersed oil-water pipe flows
Abstract
1: Introduction
2: Model description
3: Results and discussion
4: Conclusions
Acknowledgements
References
Learning interpretable multi-output models: Kaizen Programming based symbolic regression for estimating outlet concentrations of a splitter
Abstract
1: Introduction
2: Algorithms
3: Case studies
4: Numerical results and discussion
5: Conclusions
Acknowledgements
References
Decision regression for modelling of supply chain resilience in interdependent networks: LNG case
Abstract
1: Introduction
2: Boil-off gas in the LNG supply chain
3: LNG supply chain resilience stages
4: Methodology and results
5: Conclusion
References
Multi objective decision-making methodologies applied to GREENSCOPE sustainability indicators
Abstract
1: Introduction
2: Methodology
3: Case study
4: Results
5: Conclusion and future work
Acknowledgements
References
Process as a battery: Robust dynamic optimal operation of zeolite crystallization in a COBR with respect to the carbon footprint of electric power
Abstract
1: Introduction
2: Problem statement
3: Method
4: Results
5: Conclusion
References
Machine Learning models to optimize dairy cow culling: the case of the experimental farm UniLaSalle Beauvais
Abstract
1: Introduction
2: The environment and the database
3: Methodology and models
4: Results
5: Discussion and outlook
References
Analyzing the Large-Scale Supply of Low-Carbon Hydrogen in Germany
Abstract
1: Introduction
2: Methodology & Case Study
3: Results
4: Conclusion
References
Equilibrium sensitivity analysis of Carbon dioxide hydrogenation to methanol reaction system and comparison with conversions achievable in a simplified packed bed reactor model.
Abstract
1: Introduction
2: Model Formulation
3: Computational and simulation aspects
4: Results
5: Comparison and brief results discussion
6: Conclusions & further recommendations
7: Notation table
References
Improving Transferable Force-Fields for Describing Crystal Structures Containing Hydrogen-Bonds
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
Acknowledgements
References
A data-driven uncertainty modelling and reduction approach for energy optimisation problems
Abstract
1: Introduction
2: Method for deriving polyhedral uncertainty sets
3: Case study: uncertainty related to energy data in the UK
4: Results and discussion
5: Concluding remarks
Acknowledgements
References
Moisture and Throughput Control in an Integrated Pharmaceutical Purification Platform using PharmaPy
Abstract
1: Introduction
2: Digital Twin Development on the Continuous Filtration Carousel (CFC)
3: Result and Discussion
4: Conclusions
5: Acknowledgments
References
Parameter estimation and dynamic optimization of an industrial fed-batch reactor
Abstract
1: Introduction
2: Fed-Batch Reactor Model Development
3: Parameter estimation
4: Dynamic optimization of the reactor feeding profiles
5: Conclusions
Acknowledgments
References
Optimization of large-scale Direct Air Capture (DAC) Model using SCR algorithm
Abstract
1: Introduction
2: Modelling
3: Optimization Methodology
4: Results and Discussions
5: Conclusion and perspectives
Acknowledgement
References
Simulation of biodiesel production from algae
Abstract
1: Introduction
2: Process Simulation
3: Algae-dewatering process:
4: Algae Oil Extraction Process:
5: Biodiesel Production Process:
6: Conclusion:
References:
Different methods of model-based process optimization presented on real world examples from water industry
Abstract
1: Introduction
2: Real-time optimization based on first principles model
3: Demand driven Optimization
4: DCS embedded Model Predictive Control (MPC)
5: Conclusion
References
A Reduced Order Model for the Prediction of the Dynamics of a Methane Reactor
Abstract
1: Introduction
2: Mathematical model and computational methods
3: Results and discussion
Conclusions
References
A Novel Approach for Cost-effective and Sustainable Capacity Expansion Utilizing Process Intensification in Chemical Process Industries
Abstract
1: Introduction
2: Methodology
3: Case Study
Conclusion
References
Determining the performance and network properties of petrochemical clusters
Abstract
1: Introduction
2: Petrochemical Cluster Model Framework
3: Results and Discussion
4: Conclusions
Acknowledgements
References
Quality assessment of partial models for co-simulation of modular electrolysis plants
Abstract
1: Introduction
2: Methodology for model quality assurance
3: Case study modular electrolysis plant
4: Conclusion and outlook
Acknowledgements
References
Mechanistic modeling of industrial fermentation processes for antibiotic production
Abstract
1: Introduction
2: Materials and Methods
3: Results
4: Conclusions
References
A new framework and online solution engines for multiparametric Model Predictive Control
Abstract
1: Introduction
2: Offline calculation of optimal control laws
3: Online calculation of optimal control actions
4: Discussion and future work
References
Comparison of regression techniques for generating surrogate models to predict the thermodynamic behavior of biomass gasification systems
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
5. Acknowledgements
References
Global optimization of symbolic surrogate process models based on Bayesian learning
Abstract
1: Introduction
2: Methodology
3: Case Studies
4: Results and Discussion
5: Conclusions
References
Molecular Property Targeting for Optimal Solvent Design in Extractive Distillation Processes
Abstract
1: Introduction
2: Data-Driven Process Modeling
3: Molecular Property Targeting
4: Molecular Mapping
5: Conclusion
Acknowledgement
References
A Bayesian-based screening framework for optimal development of safe-by-design nanomaterials
Abstract
1: Introduction
2: Representation methodology
3: Data preprocessing
4: Bayesian-based screening
5: Discussion and conclusions
Funding
References
Artificial neural network modelling for the prediction of the deactivation of CaO-based adsorbents in the calcium looping process for CO2 capture
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
Acknowledgments
References
Dynamic operation for the effective use of green hydrogen in Power-to-X value chains
Abstract
1: Introduction
2: Methodology
3: Methodology
4: Conclusion
Acknowledgements:
References
Evaluation of two-stage stochastic programming applied to the optimization of crude oil operations scheduling
Abstract
1: Introduction
2: Problem definition
3: Model formulation
4: Assessment of the stochastic solution
5: Risk management
6: Solution strategy
7: Results
8: Conclusions
Acknowledgements
References
Generalized First-Principles Suite for Dynamic Modeling of Circular Solid Waste Thermal Treatments: a Sewage Sludge Oxy-Gasification Case Study
Abstract
1: Introduction
2: Methods
3: Results and Discussion
4: Conclusions
Acknowledgments
References
A Discrete-Event Simulation Approach to the Design and Planning of Biomass Supply Chains considering Technological Learning
Abstract
1: Introduction
2: Methodology
3: Case Study and Results
4: Conclusions
Acknowledgments
References
Data-driven modeling to predict the rate of Boil-off Gas (BOG) generation in an industrial LNG storage tank
Abstract
1: Introduction
2: Process description
3: Results and discussion
4: Conclusions
Acknowledgments
References
Synthesis of process configurations and solvent blend for CO2 capture from CCGT power plants
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion and Future Work
References
Prediction of Biomedical Waste Generation in Sanitary Emergencies for Urban Regions Using Multivariate Recurrent Neural Networks
Abstract
1: Introduction
2: Related Work
3: Data Collection
4: Methods
5: Results
6: Conclusions
Acknowledgments
References
Hybrid Modeling and Multi-Fidelity Approaches for Data-Driven Branch-and-Bound Optimization
Abstract
1: Introduction
2: Overview and explored methods
3: Results and discussion
4: Conclusions
5: Acknowledgements
References
Intensified Process for the Production of Biojet Fuel from Mexican Biomass
Abstract
1: Introduction
2: Description of the intensified process
3: Case study
4: Methodology and Process Modeling
5: Process Optimization
6: Results
Conclusions
References
Metrics for Evaluating Machine Learning Models Prediction Accuracy and Uncertainty
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Results and Discussion
5: Conclusions
References
Optimization of Process Families for Deployment of Carbon Capture Processes using Machine Learning Surrogates
Abstract
1: Introduction
2: Optimization Formulation
3: Numerical Case Study
4: Conclusions and Future Work
Acknowledgments
References
Global Optimal Explainable Models for Biorefining
Abstract
1: Introduction
2: Problem Description
3: Global Optimal Decision Tree (GODT)
4: Results and Discussions
5: Conclusion
References
Numerical simulation of the L-V equilibrium within a stage in a distillation column using CFD
Abstract
1: Introduction
2: Methodology
3: Discussion of results
4: Conclusions
References
Monitoring of the Drilling Region in Oil Wells Using a Convolutional Neural Network
Abstract
1: Introduction
2: Methodology
3: Results and Discussions
4: Conclusion
Acknowledgments
References
An inverse optimization approach to decision-focused learning
Abstract
1: Introduction
2: Mathematical formulation
3: Solution approach
4: Case study
5: Conclusions
Acknowledgements
References
Multi-scale modeling and techno-economic analysis of biogas catalytic reforming for hydrogen & power production with CO2 capture feature
Abstract
1: Introduction
2: Mathematical model
3: Techno-economic evaluation
4: Conclusions
Acknowledgments
References
Modeling hierarchical systems via nested generalized disjunctive programming
Abstract
1: Introduction
2: GDP Modeling Overview
3: Extended formulation for hierarchies
4: Conclusions
Acknowledgement
References
Fusion and integrated correction of chemometrics and machine learning models based on data reconciliation
Abstract
1: Introduction
2: Data reconciliation-based integration of machine learning models
3: Data reconciliation-based integration of machine learning models
4: Conclusion
References
Model-based Optimisation of Regional Nutrient Flow and Recovery for Resource and Environmental Sustainability
Abstract
1: Introduction
2: Problem Statement
3: Mathematical Programming Formulation
4: Nutrient Flow Data and Operational Constraints
5: Case Study
6: Conclusions
Acknowledgement
References
Improving results of a Continuous Fluidized Bed Process for the Separation of Enantiomers by applying mathematical optimization
Abstract
1: Introduction
2: Process description
3: Modeling crystallization process in fluidized beds
4: Model-based optimization
5: Conclusions
Acknowledgments
References
Machine-learning-based optimization of operating conditions of naphtha cracking furnace to maximize plant profit
Abstract
1: Introduction
2: Method
3: Results and discussion
4: Conclusions
Acknowledgments
References
Methanol synthesis and hematite reduction using waste tires
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
References
Unlocking the potentials of integrating direct air capture with HVAC system
Abstract
1: Introduction
2: Results and discussion
3: Conclusion
References
Model development of amine scrubbing and CO2 liquefaction process using waste LNG cold energy
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusion
Acknowledgement
References
A parametric analysis of the co-gasification of biomass and plastic waste using Aspen Plus
Abstract
1: Introduction
2: Modelling framework
3: Results and Discussion
4: Conclusion
References
Food security in an oligopolistic EWF nexus system: a cooperative vs a non-cooperative case
Abstract
1: Introduction
2: Data and Methods
3: Results and discussion
4: Conclusion
5: Acknowledgment
6. References
Multiple-output Gaussian Process based Global Sensitivity Analysis for the cost-performance of electric vehicle in the United Kingdom
Abstract
1: Introduction
2: Gaussian process based global sensitivity analysis
3: Computational results
4: Conclusions
References
Extended Multiple-Curve Resolution framework for the calibration of first-principles models
Abstract
1: Introduction
2: Mathematical framework
3: Results
4: Conclusions
5: Acknowledgements
References
Energy analysis of CO2 capture by flash and distillation
Abstract
1: Introduction
2: Methods
3: Process Description and Analysis
4: Conclusions
References
Feature Embedding of Molecular Dynamics-Based Descriptors for Modeling Electrochemical Separation Processes
Abstract
1: Introduction
2: Methods
3: Results and Discussions
4: Conclusions
Acknowledgments
References
An NLP-based framework for extracting the catalysts involved in Hydrogen production from scientific literature
Abstract
1: Introduction
2: Data collection and annotation
3: The proposed model: H2-BERT
4: Results and Discussion
5: Conclusion
6: Acknowledgement
7. References
Simulation of low-temperature district heat networks from mine water energy
Abstract
1: Introduction
2: Methodology
3: Results & Discussion
4: Conclusion
5. References
In-silico investigation of microalgae culture performance in lab and pilot scale: The trade-off between reactor size and productivity.
Abstract
1: Introduction
2: Model development
3: Model validation and biomass optimization
4: Results and discussion
5: Conclusions
References
Process modelling of the hydrothermal liquefaction of oil-palm waste for biocrude and hydrochar production
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion:
Acknowledgment
References
Heuristic approaches to solving multistage stochastic programs with type II endogenous uncertainty
Abstract
1: Introduction
2: A general MSSP formulation under endogenous uncertainties
3: Solution approaches
4: Case study descriptions, results, and discussion
5: Conclusion and Future Directions
References
Hybrid modeling of the catalytic CO2 methanation using process data and process knowledge
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
Acknowledgment
References
Dynamic Optimization of Active Pharmaceutical Ingredient (Semi-)Batch Crystallization using Population Balance Modelling
Abstract
1: Introduction
2: Problem formulation and computational methods
3: Dynamic optimization of cooling-antisolvent seeded (semi-)batch crystallization
4: Conclusions
5. Acknowledgements
References
A Systematic Framework for Iterative Model-Based Experimental Design of Batch and Continuous Crystallization Systems
Abstract
1: Introduction
2: Framework Development Methodology
3: Application of the Proposed Framework: Results
4: Conclusions
Acknowledgements
References
Evaluation of Factors Affecting Novel Technology Development using Mathematical Programming
Abstract
1: Introduction
2: Problem Statement
3: Mathematical Model Formulation
4: Results and Discussion
5: Conclusion and Future Direction
Acknowledgment
References
T2: Control, scheduling, and operability at the process and enterprise-level
An Encrypted MPC Framework for Security to Cyber-Attacks
Abstract
1: Introduction
2: Preliminaries
3: Encrypted MPC Design
4: Encrypted Lyapunov-based Model Predictive Control
5: Chemical Process Example
References
Machine learning-based product concentration estimation, real-time optimization, and multivariable control of an experimental electrochemical reactor
Abstract
1: Introduction and Reactor Description
2: Weighted-FNN Steady-State Modeling and Real-Time Optimization for Feasible Setpoints
3: Recurrent Neural Network Dynamic Modeling of C2H4 and CO Concentrations
4: Controller Tuning and Multivariable Control Architecture
5: Conclusion
References
Symbolic regression based interpretable data-driven soft-sensor for process quality control
Abstract
1: Introduction
2: Problem statement
3: Methodology
4: Results and Discussion
5: Conclusion
References
Oligomerization Using Reactive Distillation, Design and Model Predictive Control
Abstract
1: Introduction
2: Design of reactive distillation equipment
3: Control of the reactive distillation column
4: Results
5: Conclusions
References
Fault Diagnosis with GAT and PageRank: From Local Attention to Global Attention
Abstract
1: Introduction
2: Graph Attention Network and PageRank
3: Fault Diagnosis with GAT
4: Extend from Local to Global Attention with PageRank
5: Conclusion
References
Model predictive control of compact combined cycles in offshore power plants integrating a wind farm
Abstract
1: Introduction
2: System description and model
3: Control structure
4: Results and discussion
5: Conclusion
Acknowledgements
References
Application of Bayesian Optimization in HME Batch Concentration Process
Abstract
1: Introduction
2: Process Modeling
3: Bayesian optimization
4: Simulation results and discussion
5: Conclusion
Acknowledgments
References
Symbolic regression-based method for developing a physics-informed surrogate model for a manufacturing process
Abstract
1: Introduction
2: Surrogate modeling approaches
3: Application of surrogate modeling in manufacturing
4: Conclusion
Acknowledgement
References
Demand Response in Microgrids with Attention-Based Deep Reinforcement Learning
Abstract
1: Introduction
2: Attention-based MA-DRL for demand response
3: Case study: Computational results
4: Conclusion
References
Multi-Kernel Canonical Variate Analysis with Bayesian Optimized Kernel Designs for Nonlinear System Identification
Abstract
1: Introduction
2: Feature-Relevant Mixed Kernel Canonical Variate Analysis
3: Investigating Multi-Kernel Canonical Variate Analysis
4: Case Study
5: Conclusion
References
Modular Development of Condition Monitoring Systems for the Tennessee Eastman Process
Abstract
1: Introduction
2: Methods
3: Results and Discussion
4: Conclusions
5: Acknowledgements
References
Data-driven predictive model forirrigation management in greenhouses under CO2 enrichment and high solarradiation
Abstract
1: Introduction
2: Greenhouse data
3: Methodology
4: Results and Discussion
Conclusion
References
Greenhouse temperature regulation in the presence of uncertainties using data-driven robust model predictive control
Abstract
1: Introduction
2: Methodology
3: Results and discussions
4: Conclusion
Acknowledgment
References
A model predictive control framework for the production of functional, safe and sustainable nanomaterials
Abstract
1: Introduction
2: Methods
3: Results
4: Discussion
Acknowledgements
References
Multi-period optimisation of oligopolies with contracts: A cooperative approach to customer fairness
Abstract
1: Introduction
2: Problem Statement
3: Case studies
4: Conclusions
5: Acknowledgments
References
Artificial Neural Network-Based Real-Time PID Controller Tuning
Abstract
1: Introduction
2: Physical System and Mathematical Model
3: Methodology
4: Results
5: Discussion
6: Conclusion
References
State of the Art Flexibility Analysis for Natural Gas Monetization Production Processes Under Uncertainties
Abstract
1: Introduction
2: Methodology and Data
3: Results and Discussion
4: Conclusion
References
Online Monitoring and Robust, Reliable Fault Detection of Chemical Process Systems
Abstract
1: Introduction
2: Recent Advancements in Multivariate SPC
3: Formulation and Methodology
4: Case Study: Tennessee Eastman Process
5: Conclusion
References
Perspectives on New Trends of Statistical Process Monitoring for Industrial Process Safety
Abstract
1: Introduction
2: Related Methods
3: Case Studies
4: Challenges and Suggestions for Feature-Based Statistical Process Monitoring
5: Conclusion
Acknowledgments
References
Aeration Optimization and Control for Wastewater Treatment Processes
Abstract
1: Introduction
2: Plant description an simulation platform
3: Control Strategies
4: Results
5: Conclusions
Acknowledgments
References
Safe deployment of reinforcement learning using deterministic optimization over neural networks
Abstract
1: Introduction
2: Safe Reinforcement Learning (RL) Background
3: First Algorithm: OMLT-DDPG
4: Second Algorithm: SAFE
5: Results and Discussion
6: Conclusions
7: Acknowledgments
References
Distributional Constrained Reinforcement Learning for Supply Chain Optimization
Abstract
1: Introduction
2: Reinforcement Learning (RL) Background
3: Approach: Distributional Constrained Policy Optimization
4: Results and Discussion
5: Conclusions
6: Acknowledgments
References
Machine learning-based decomposition for complex supply chains
Abstract
1: Introduction
2: Materials & Methods
3: Results and discussion
4: Conclusions
Acknowledgements
References
Optimal energy management in greenhouses using distributed hybrid DRL-MPC framework
Abstract
1: Introduction
2: Greenhouse optimal control problem
3: Optimal control using distributed hybrid algorithm
4: Simulation results
5: Concluding remarks
References
Multi-Agent Reinforcement Learning and RL-Based Adaptive PID Control of Crystallization Processes
Abstract
1: Introduction and background
2: Problem Formulation
3: Result and Discussion
4: Conclusions
Acknowledgements
References
Globally Convergent Composite-Step Trust-Region Framework for Model-Based Real-Time Optimization
Abstract
1: Introduction
2: Preliminaries
3: Composite-Step Trust-Region Framework
4: Case Studies
5: Conclusions
Acknowledgements
References
Fault Detection and Diagnosis for Chemical Processes based on Deep Neural Networks with Continuous Wavelet Transform
Abstract
1: Introduction
2: Method
3: Case study
4: Result
5: Discussion
6: Conclusion
References
Anomaly detection in chemical processes with semantic knowledge graphs: an approach to reduce cause-effect diagrams
Abstract
1: Introduction
2: Method
3: Results and discussion
4: Conclusion
Acknowledgments
References
Performance analysis of three-phase fluidized bed absorber for CO2 capture industrial application
Abstract
1: Introduction
2: Scaled-up three-phase absorption column
3: Mathematical model
4: Results and discussion
5: Conclusions
Acknowledgements
References
Decentralized control for optimal operation under changing active constraints
Abstract
1: Introduction
2: Methodology
3: Results
4: Discussion
5: Conclusion
References
Development of a Deep Learning-based Schedule-Aware Controller: Toward the Integration of Scheduling and Control
Abstract
1: Introduction
2: Problem statement
3: Methodology steps and techniques
4: Application: Multi-product CSTR
5: Conclusions
References
Robust (explicit) optimization and control via Mixed Integer Programming
Abstract
1: Introduction
2: Problem formulation
3: Methodology
4: Uncertain constrained LQR example
5: Concluding remarks
References
A process data prediction method for chemical process based on the frozen pretrained transformer model
Abstract
1: Introduction
2: Methodology
3: The proposed method
4: Applications and discussions
5: Summary
References
Sensor bias detection, isolation, and estimation in a subsea pump system.
Abstract
1: Introduction
2: Case study: Subsea pump system
3: Combining fault detection and observability analysis to state and bias estimation.
4: Results
5: Conclusion
Acknowledgement
References
Fusion of pupil and gaze-based features to estimate cognitive workload of control room operators
Abstract
1: Introduction
2: Literature
3: Experimental Methodology
4: Results
5: Conclusion
References
Quantification of Process Operability Using Flexibility Analysis
Abstract
1: Introduction
2: Flexibility space description through the DFO solution strategy
3: Quantificational description of operational space
4: Case study
5: Conclusions
Acknowledgements
References
Coupling of support vector machine and acoustic models to characterize the droplet size distribution of emulsions using ultrasonic techniques
Abstract
1: Introduction
2: Theoretical foundations
3: Experimental procedure and apparatus
4: Implemented routine and SVM coupling algorithm with acoustic models
5: Results
6: Conclusion
Acknowledgment
References
An Approach to Dependable Hybrid Modeling with Application to an Industrial Distillation Column
Abstract
1: Introduction
2: Hybrid model with a weighted contribution of the data-based model
3: Case study: Mother liquor distillation column
4: Results
5: Conclusion
Acknowledgment
References
Integrating mineral mining and metallurgical supply chains: a qualogistics approach
Abstract
1: Introduction
2: Ore blend scheduling at mining processing sites
3: Integrating mineral mining and metallurgical supply chains
4: Tactical metallurgical and operational mining problems
5: Conclusion
References
A simple two-parameter steady-state detection algorithm: Concept and experimental validation
Abstract
1: Introduction
2: Background literature
3: Proposed method
4: Results
5: Conclusions
Acknowledgments
References
Residence Time Distribution characterization in a Continuous Manufacturing tableting line using PCA and PLS-DA modeling
Abstract
1: Introduction
2: Theory and Methods
3: Results and discussion
4: Conclusion
Acknowledgement
References
Optimal power distribution in a P2A plant
Abstract
1: Introduction
2: System description and specifications
3: Energy requirements for synthesis loop
4: Results
5: Discussion
6: Conclusion
References
Blend-scheduling optimisation for continuous and batch mixtures: modelling and solving algorithms
Abstract
1: Introduction
2: Problem statement
3: Mathematical modelling
4: Results
5: Conclusion
References
A machine learning dynamic modelling scheme for wastewater treatment plants using cooperative particle swarm optimization and neural networks
Abstract
1: Introduction
2: System identification using cooperative particle swarm optimization
3: Dynamic modelling using radial basis function neural network models
4: Results and Discussion
5: Conclusions
Acknowledgements
References
Can electrical utilities play a decisive role in generating knowledge for better use of energy in small and medium-sized industries?
Abstract
1: Introduction
2: Typical daily load profiles (clustering)
3: Peak power demand management tool
Results and discussion
4: Conclusion
References
Hybrid data-driven and first principles monitoring applied to the Tennessee Eastman process
Abstract
1: Introduction
2: Fault detection
3: Case study – The Tennessee Eastman process
4: Results
5: Conclusions
References
Data-Driven Process Monitoring for Knowledge Discovery: Local and Global Structures
Abstract
1: Introduction
2: Understanding the Data: Global and Local Structures
3: Dimensionality Reduction: Global and Local Structure Preservation
4: FastMan-JMP Use-Case of an Industrial Pyrolysis Reactor
Conclusions
References
Fault detection in high-pressure pumps in Low-Density Polyethylene Autoclave Reactors
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
Using ultrasonic and process data to identify surging and gas lock phenomena during ESP operation
Abstract
1: Introduction
Material and methods
2: Results and discussion
3: Conclusions
References
A data-driven predictive model of gas flow rate from ultrasound and process variables using artificial neural networks
Abstract
1: Introduction
2: Material and methods
3: Results and discussion
4: Conclusions
References
An NN-NMPC for Controlling a Crystallization Process in the Saturated and Undersaturated Zones
Abstract
1: Introduction
2: Neural Networks Models
3: Nonlinear Model Predictive Control
4: Conclusion and Prospects
Acknowledgements
References
A novel neural network bounds-tightening procedure for multiparametric programming and control
Abstract
1: Introduction
2: Method
3: Case Study: Unstable Nonlinear Chemostat
4: Conclusions
References
Multistage Economic NMPC for Gas Pipeline Networks with Uncertainty
Abstract
1: Introduction
2: Model Formulation
3: Model Formulation
4: Conclusions and Future Work
References
A new time-bucket MILP formulation for optimal lot-sizing and scheduling of an industrial make-and-fill process
Abstract
1: Introduction
2: Time-bucket MILP formulation
3: Case Study
4: Results
5: Conclusion
References
Study of Different Formulations for the Multiperiod Blending Problem Applied to Lithium Recovery from Produced Water
Abstract
1: Introduction
2: Problem Formulation and Solution Strategies
3: Case Study
4: Conclusions
Acknowledgments
References
State and Parameter Estimation in Dynamic Real-time Optimization with Closed-Loop Prediction
Abstract
1: Main Text
2: Case Study: Distillation Column
3: Simulation Setup
4: Production Optimization Methods
5: Results and Discussion
6: Conclusion
References
Unsupervised anomaly detection model for diesel off-spec color change triggered by flooding
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
References
Artificial neural networks-based identification of the WWTP DO sensor types of faults
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
Energy Out-of-distribution Based Fault Detection of Multivariate Time-series Data
Abstract
1: Introduction
2: Proposed Methodology
3: Numerical Simulation
4: Conclusion
Acknowledgements
References
Development of a Centralized Classifier for Decentralized Decision Making
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
Acknowledgments
References
Fault detection using Fourier neural operator
Abstract
1: Introduction
2: Methodology
3: Simulation Studies
4: Conclusion
5 Acknowledgement
References
Proximal policy optimization for the control of mAB production
Abstract
1: Introduction
2: Methodology
3: Results and Discussions
4: Conclusions
5: Acknowledgement
References
T3: Safe and sustainable products by design
Process design and economic evaluation of biomass-based negative emission technologies
Abstract
1: Introduction
2: Study Design
3: Conclusions
References
Design and intensification of the production process of propylene glycol as a high value-added glycerol derivative
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
Optimal Design of Heat Integrated Hybrid Dividing Wall Columns by Vapor Recompression
Abstract
1: Introduction
2: Methodology
3: Case Studies
4: Conclusions
References
Efficient use of energy in distillation sequences
Abstract
1: Introduction
2: An algorithm for efficient energy integration in distillation
3: Discussion on Results
4: Conclusions
5 Acknowledgments
References
The use of Design Thinking in the innovation of artificial connected reefs
Abstract
1: Introduction
2: Methodology
3: Analysis
4: Conclusion and perspectives
Acknowledgments
References
Substitution of hexane in vegetable oil extraction using Computer Aided Molecular Design
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
Acknowledgments
References
Innovative process for manufacturing pharmaceutical mini-tablets using 3D printing
Abstract
1: Introduction
2: Drop-on-demand printing of mini-tablets
3: Materials
4: Results
5: Conclusions
6 Acknowledgments
References
Process simulation coupled with life cycle assessment of an alternative polyamide precursor
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussion
4: Conclusions
References
Connectivity Matrix-based Descriptors with Deep Learning for Estimation of Pure Component Properties
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
Acknowledgements
References
Novel biorefinery ideas for conversion of biomass to biofuel
Abstract
1: Introduction
2: Process description and feedstock selection
3: Result and discussion
4: Conclusion
5: Acknowledgement
References
Waste integration for sustainable operation of WWTP’s
Abstract
1: Introduction
2: Process description and modeling
3: Results
4: Conclusions
Acknowledgments
References
Multiscale design methodology for flow reactors supporting rapid prototyping
Abstract
1: Introduction
2: Concept of rapid prototyping
3: Integrated modeling of trickle bed reactor
4: Model-based design approach
5: Conclusion
References
Computer-aided multi-scale simulation of MOF-based membrane separation for CO2 removal via integration of molecular and process simulation through machine learning
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
Decision making software for cosmetic product design based on an ontology
Abstract
1: Introduction
2: Design methodology
3: Formultools: an application for the design of cosmetic products
4: Conclusions and perspectives
References
Evaluation of amines for the removal of acid gases from the liquid hydrocarbons
Abstract
1: Introduction
2: Process Details
3: Results
4: Conclusion
References
Embedding Operating Flexibility in Process Design
Abstract
1: Introduction
2: Framework
3: Case Study: Protein A Chromatography
4: Results and Discussion
5: Conclusion
References
Transfer learning for process design with reinforcement learning
Abstract
1: Introduction
2: Methods
3: Illustrative case study
4: Results and discussion
5: Conclusion
References
Data augmentation for machine learning of chemical process flowsheets
Abstract
1: Introduction
2: Data augmentation methodology
3: Case study and Results
4: Conclusions
References
Systematic synthesis of pathways for hydrogenation and hydrogenolysis of acetylene over catalytic surfaces
Abstract
1: Introduction
2: Problem formulation and methodology
3: Results and discussion
Conclusions
References
New Methodology Integrating Tray Efficiency Predictions with Internals Design for Valve-Tray Distillation Columns
Abstract
1: Introduction
2: Valve-trayed column design methodology
3: Case study: separation of i-butane/n-butane mixture
4: Discussion
5: Conclusion
References
Process Design and Intensification of Circulating Catalytic Fluidized Bed Membrane Reactor for Oxidative Coupling of Methane
Abstract
1: Introduction
2: Kinetics of Oxidative Coupling of Methane
3: Modeling of Conventional Fluidized Bed Reactor (FBR)
4: Design and Intensification of Circulating Fluidized Bed Membrane Reactor (FBMR)
5: FBMR Results and Technical Insights
Conclusion
6: Future Work
5 Acknowledgement
References
Solvent pre-selection for extractive distillation using Gibbs-Helmholtz Graph Neural Networks
Abstract
1: Introduction
2: Background
3: Methodology
4: Results
5: Conclusions and future work
Acknowledgements
References
Dhrushti-AI: A multi-screen multi-user eye-tracking system to understand the cognitive behavior of humans in process industries
Abstract
1: Introduction
2: Literature Review
3: Methodology
4: Result & Discussion
5: Conclusion
References
Digital Twin- A System for Testing and Training
Abstract
1: Introduction
2: Development of the Operator Training System
3: Benefits of the OTS
4: Conclusion
References
Process Validation in Modular Plants considering the Scale-Up and Prior Knowledge
Abstract
1: Introduction
2: Background
3: Methodology
4: Case Study
5: Conclusions
References
Digital Twins for Scale-Up in Modular Plants: Requirements, Concept, and Roadmap
Abstract
1: Introduction
2: Background
3: Methodology: Expert Interviews
4: RoadMap: Vision for Digital Twins in Scale-Up
5: Digital Twin Concept
6: Discussion and Conclusion
References
Modeling and Simulation of a PSA Process for CO2/Syngas Separation
Abstract
1: Introduction
2: Methods and Modeling
3: Results and Discussion
4: Conclusion
5 Acknowledgment
References
Simultaneous design of integrated cyanobacteria-based biorefinery and its heat exchanger network
Abstract
1: Introduction
2: Process Description
3: Mathematical Model
4: Numerical Results
5: Conclusions
References
Sustainable Conceptual Design of a Hydrogen Production via Natural Gas pyrolysis
Abstract
1: Introduction
2: Methodology and Process Description
3: Results and Discussions
4: Conclusion
Acknowledgement
Reference
The influence of biomass characteristics and their uncertainties on the production of sustainable aviation fuel
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
Acknowledgments
References:
Translation Ontology of optimal Decision Making along a Distributed Production Chain by Example
Abstract
1: Introduction
2: Industrial challenges and requirements
3: Ontology construction principles
4: T2B and T2B2B Translation ontology
5: Conclusion
Acknowledgements:
References
The Integration of Drug Substance and Drug Product Manufacturing Models: The Missing Link for Model-based End-to-End Process Development
Abstract
1: Introduction
2: Pharmaceutical Manufacturing Process Modelling
3: Case Study
4: Uncertainty Analysis
5: Conclusions and Discussion – Industrial and Regulatory Considerations
Acknowledgments
References
Direct Compression Flowsheet Modelling to Assess Tablet Manufacturability and In Vitro Dissolution
Abstract
1: Introduction
2: Materials and methods
3: Models
4: Results
5: Conclusions
Acknowledgments
References
Enhanced hot-liquid water pretreatment of biomass with recovery and valorization of side products
Abstract
1: Introduction
2: Problem statement
3: Methodology/Approach
4: Results and discussion
5: Conclusions
References
Development of deep learning framework to predict physicochemical properties for Ionic liquids
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
5 Acknowledgment
6 Reference
T4: Green and sustainable processes for the circular economy
Economic optimization of the Northern Italian supply chain for residual plastic packaging waste treatment
Abstract
1: Introduction
2: Modelling framework
3: Results
4: Conclusions
References
Optimisation modeling for decision support in the industrial circular economy activities
Abstract
1: Introduction
2: Tools for Circular Economy
3: Optimisation Models in CE
4: Mathematical Model to be developed
5: Conclusion
References
Model-Based Design of Experiments for the identification of microalgae growth models with limiting nutrients
Abstract
Introduction
1: Model and methodology
2: Results
Conclusions
Acknowledgements
References
Enabling circularity: Analysis of factors influencing MSW sorting behaviour in Central Norway
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
Acknowledgements
References
A Critical Look at Waste Composition Analyses: Challenges and Opportunities
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
Acknowledgements
References
Waste valorisation within the Energy-Water-Food Nexus: A hybrid techno-geospatial optimisation approach
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
Acknowledgement
References
Levelised Energy-Water-Food (LEWF) Indicator for Biomass Assessment and Optimisation
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
References
The controlled environment agriculture: a sustainable agrifood production paradigm empowered by systems engineering
Abstract
1: Introduction
2: Systems engineering techniques for product and process design
3: Systems engineering methods for process operation
4: Concluding remarks
Acknowledgement
References
CO2 Capture by Amine-Functionalized Magnesium Oxide: Experimental and Modelling Studies
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
Development of ‘Green’ LNG through a CO2 allocation procedure within a CO2 utilisation network in Qatar
Abstract
1: Introduction
2: Model Design and Optimisation
3: Results and Discussion
4: Conclusion
5: Acknowledgement
6. References
Process Design and Bayesian Optimization of 5-Hydroxymethylfurfural Hydrodeoxygenation
Abstract
1: Introduction
2: HMF Hydrodeoxygenation Flowsheet Design and Analysis
3: Bayesian Optimization
4: Results and Discussions
5: Conclusions
Acknowledgement
References
Investigation of biomass blending ratios for optimal biochar’s soil application
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
Acknowledgement
References
Methodology for estimating a country's production of biomethane from agricultural residues: a multiscale and holistic approach
Abstract
1: Introduction
2: Framework development
3: Result
4: Conclusion
Acknowledgement
References
Energy management for controlled environment agriculture based on physics informed neural networks and adaptive linearization based data-driven robust model predictive control with AI
Abstract
1: Introduction
2: Physics informed neural network and control framework formulation
3: Performance profile of control framework
4: Discussion
References
Life Cycle Assessment on Chemical Recycling-aided Cascaded Use of Polypropylene Plastics
Abstract
1: Introduction
2: LCA Methodology
3: Result and Discussion
4: Conclusion
References
Enviro-economic analysis of tandem and direct processes for ethylene electrosynthesis
Abstract
1: Introduction
2: Methodology
3: Results and discussions
4: Conclusions
Acknowledgments
References
Modeling and Experimental Validation of Poly(3-Hydroxybutyrate-co-3-Hydroxyvalerate) Chain Length Distribution
Abstract
1: Introduction
2: Experimental Methods
3: Mathematical Model
4: Results
5: Conclusion
Acknowledgments
References
Predictive Modeling and scale-up of Wet Oxidation for Hydrothermal Liquefaction Process Water treatment
Abstract
1: Introduction
2: Methodology
3: Results & Discussion
4: Conclusions
References
Process Feasibility for Converting the Waste Plastics to Hydrogen and Methanol
Abstract
Introduction
Modelling and Simulation
3: Process Description
4: Results and Discussion
5: Project Feasibility
Conclusions
Acknowledgements
References
Process development for efficient hydrogen transportation and analyses: technical, economic, and environmental perspectives
Abstract
1: Introduction
2: Technology Overview
3: Method
4: Process design
5: Result and Discussion
6: Conclusion
References
Integration of metabolic models in biorefinery designs using superstructure optimisation
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
References
Environmental Impacts of Bio-derived Silicon: Uncertainty in the Benefit of Industrial Transition
Abstract
1: Introduction
2: Overview of the Silicon Supply Chain
3: Agricultural Biomass as a Source of Silicon
4: Method
5: Results and Discussion
6: Conclusion
Acknowledgements
References
Technoeconomic and Life Cycle Assessment of an mRNA Vaccine Integrated Manufacturing Plant
Abstract
1: Introduction
2: Material and Methods
3: Results and Discussions
4: Conclusions
References
Obtaining biofuels from agroindustrial waste of Fragaria spp and Mangifera indica spp
Abstract
1: Introduction
2: Case study
3: Methodology
4: Results and discussions
5: Conclusions
References
Life Cycle Assessment of Cellulose Nanocrystals Production in Sugarcane Biorefineries
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
Acknowledgements
References
Decarbonization of energy-intensive industries: sustainable implementation of CO2 recycling within the industrial symbiosis
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
Acknowledgments
References
Gray and hybrid green ammonia price sensitivity to market fluctuations: the Russia-Ukraine war case
Abstract
1: Introduction
2: Simulation of the hybrid-green ammonia plant
3: Gray and hybrid-green ammonia production costs
4: Conclusions
References
Paving the way for the integration of synthesis, assessment, and design tools within an ontological framework
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Results
5: Conclusions
6: Acknowledgments
References
Pyrolysis of livestock manures: Optimal operating conditions and feedstock blending ratios
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
Acknowledgement
References
Investigating the feasibility of biomass integrated gasification combined cycle (BIGCC) as a power alternative in Gaza Strip
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
References
The Infinity Reactor: A new conceptual design for a more cost-efficient CO2 to methanol route
Abstract
1: Introduction
2: Methods
3: Results & discussion
4: Conclusions
References
Optimal design of a microbial electrolysis cell for biohydrogen production
Abstract
1: Introduction
2: Methodology
3. Process model simulation results
4. Conclusions
5. Acknowledgments
References
Simulation and Exergoeconomic Analysis of Brewer’s Spent Grains convective drying process
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussion
4: Conclusions
References
Incorporating negative emissions technologies with policy instruments for net-zero emissions
Abstract
1: Introduction
2: Approach
3: Illustrative Example
4: Conclusion
References
Waste valorization of non-commercialized edible mushrooms
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Enviro-economic assessment of sustainable aviation fuel production from direct CO2 hydrogenation
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
Acknowledgements
References
Ammonia powered solid oxide fuel cells for general aviation propulsion systems: challenges and opportunities
Abstract
1: Introduction
2: Ammonia Powered SOFC Modelling
3: Results and Discussion
4: Conclusion
References
Simulation-based design of regional biomass thermochemical conversion system for improved environmental and socio-economic performance
Abstract
1: Introduction
2: Materials and methods
3: Results and Discussion
4: Conclusion
Acknowledgement
References
Conceptual Design of a Biorefinery to Use Brown Seaweed Sargassum
Abstract
1: Introduction
2: Simulation methodology
3: Simulation results
4: Conclusions
References
Design and Production of Biodiesel and Porous Filaments from Endemic Species of the Cienega de Chapala Region
Abstract
1: Introduction
2: Biopolymers
3: Methodology
4: Results and discussions
5: Conclusions
6. References
Real-time control and scheduling decision making in fermentation-based food process operations
Abstract
1: Introduction
2: Model Development
3: Model output
4: Conclusions and Future work
References
Production of Ca(HCO2)2 from formate solution through CO2 hydrogenation
Abstract
1: Introduction
2: Experimental
3: Process design and analysis
4: Conclusions
References
Techno-Economic Process Analysis of the Chemical Recycling of Nylon 6 Using Phosphoric Acid
Abstract
1: Introduction
2: Background and Methodology
3: Results and Discussion
4: Conclusions
References
Multiscale High-throughput Screening for Membrane-based Green Hydrogen Separation Process
Abstract
1: Introduction
2: System description
3: Multiscale membrane screening method
4: Results and discussion
5: Conclusion
Acknowledgement
References
Discrete Element Simulation and Economics of Mechanochemical Grinding of Plastic Waste at an Industrial Scale
Abstract
1: Motivation and background
2: Methods
3: Results and Discussion
4: Conclusions
5. Acknowledgments
References
Multi-scale Modelling and Experimental Investigation of Hydrogen Sulphide Thermal Decomposition
Abstract
1: Introduction
2: Materials and methods
3: Results and discussion
4: Conclusions
References
Reuse and recycling of waste material: design of a pyrolysis-based process
Abstract
1: Introduction
2: Materials and methods
3: Results
4: Alternatives for processing
5: Conclusions
References
Life Cycle Assessment of bio-oil produced through lignocellulosic biomass liquefaction
Abstract
1: Introduction
2: Methods
3: Results
4: Conclusions and Future Work
References
Impacts of defossilising downstream derivatives in petrochemical clusters – MTBE case study
Abstract
1: Introduction
2: Methodology
3: Results and discussion - MTBE case study
4: Conclusions and future work
Acknowledgements
References
Methane-to-X: an economic assessment of methane valorisation options to improve carbon circularity
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
Acknowledgements
References
Purification of Raw Bio-Methanol from Renewable Feedstocks: A Flexibility Assessment
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussion
4: Conclusions
References
Life cycle assessment of Pine needle-based electricity generation in India
Abstract
1: Introduction
2: Methodology
3: LCA Results and discussion
4: Conclusions
References
Evaluation of alternative carbon based ethylene production in a petrochemical cluster: Technology screening & value chain impact assessment
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
Acknowledgements
References
Syngas fermentation to ethanol: the effects of gas recycling on economics
Abstract
1: Introduction
2: Methodology
3: Results
Acknowledgements
References
Modeling, simulation and techno-economic analysis of an integrated biorefinery based on halophytes
Abstract
1: Introduction
2: Conceptual design of the integrated biorefinery
3: Methods
4: Results
5: Conclusion
6 Acknowledgements
References
Optimal Control for Deriving Policies for Global Sustainability
Abstract
1: Introduction
2: The GGSM Model
3: Scenario Analysis
4: Deriving Techno-Socio-Economic Policies
5: Summary
References
Application of CAPE Tools into Prospective Life Cycle Assessment: A Case Study in Feedstock Recycling of Waste Plastics
Abstract
1: Introduction
2: Materials and methods
3: Results and discussion
4: Conclusions
Acknowledgement
References
Designing roadmaps for transitioning to value chains with net-zero emissions: Case of the chemical industry
Abstract
1: Introduction
2: Methodology
3: Results and Discussions
4: Conclusions and Future Work
References
Data Envelopment Analysis of Ammonia and Methanol as Sustainable Energy Storage Vectors
Abstract
1: Introduction
2: Methodology
3: Case study: an application to chemical energy vectors route selection
4: Results and discussion
5: Conclusions
Acknowledgments
References
Simulation of thermochemical recycling of waste plastic to produce dimethyl ether
Abstract
1: Introduction
2: Process and Simulation details
3: Results and discussions
4: Conclusion
Acknowledgement
References
Sustainable recycling of refrigerants: Analysis of alternatives
Abstract
1: Introduction
2: Data-based Analysis of Opportunities for Recycling of F-gases
3: Evaluation of Alternatives: Recycle of F-gases
4: Conclusions
References
Thermodynamic study and simulation of the process of separation of the IPA+water mixture by heterogeneous azeotropic distillation
Abstract
1: Introduction
2: Experimental set up and protocol
3: Results and Discussion
4: Conclusions
References
Sustainability assessment of poly(butylene succinate) production and End-of-Life options from wheat straw
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
Acknowledgements
References
Computer simulation of a plastic waste gasification-solid oxide fuel cell power generation system using Aspen Plus
Abstract
1: Introduction
2: Model Development
3: Results and Discussion
4: Conclusions
References
Enhancement of hydrochar from coal discards and sewage sludge (co)-HTC for transition to a low-carbon economy
Abstract
1: Introduction
2: Materials and methods
3: Results and discussions
4: Conclusion
References
Fully Electrified Conversion of Low-Quality Plastic Waste to Polymer Precursors
Abstract
1: Introduction
2: Methods
3: Results
4: Conclusions
5: Acknowledgments
References
Deep neural network-based multi-objective optimization of NOx emission and profit by recovering lignocellulosic biomass
Abstract
1: Introduction
2: Methodology
3: Results and discussions
4: Conclusions
Acknowledgments
References
Decarbonization of gray ammonia production through the Allam power cycle: a techno-economic assessment and optimization
Abstract
1: Introduction
2: Process simulation
3: Results and discussion
4: Conclusions
References
Into the Valley of Death Rode the Green Transition
Abstract
1: Motivation
2: The Green Valley of Death
3: Concluding Remarks
Acknowledgements
References
A novel industrial biotechnology approach to valorize fatty acids to bioplastics: scope for scale-up and process efficiency using an integrated approach
Abstract
1: Scope of work
2: Challenges in WCO valorisation
3: Methodological steps
4: Results
5: Conclusions
Acknowledgments
References
On the re-deployment of lignocellulosic biorefineries with solvent-free designs and process-to-process integration
Abstract
1: Introduction
2: Problem description
3: Methodology
4: Results
5: Conclusions
Acknowledgements
References
T5: Systems methods in industrial biotechnology and biomedical applications
Digital-twin development for a novel vibrating membrane aiming at fractionating fermentation broths
Abstract
1: Introduction
2: Methodology
3: Results
Conclusions
Acknowledgements
References
Post-Combustion Carbon Capture and Utilization by Sodium Hydroxide Aqueous Solution for Bicarbonate Microalgae Cultivation
Abstract
1: Introduction
2: Process Design for Bicarbonate Precipitation
3: Carbon fixation by Bicarbonate-Based Microalgae Cultivation
4: Conclusions
References
Comparing different modelling approaches for metabolic network dynamic simulation under uncertainty
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Results and Discussion
5: Conclusion
References
Integrating hybrid modelling and transfer learning for new bioprocess predictive modelling
Abstract
1: Introduction
2: Problem statement
3: Methodology
4: Results and Discussion
5: Conclusion
References
Machine learning-supported cybergenetic modeling, optimization and control for synthetic microbial communities
Abstract
1: Introduction
2: Modeling of synthetic microbial communities with cybergenetic inputs
3: Optimal cybergenetic control of synthetic microbial communities
4: Predictive cybergenetic control of microbial communities with estimation
5: Microbial community with optogenetic control: naringenin biosynthesis
6: Conclusion
References
Model-based optimization of a recombinant E. coli fed-batch process for best time-space yield and conversion efficiency
Abstract
1: Introduction
2: Methods
3: Results and Discussion
4: Conclusion
Acknowledgements
References
Closed-loop optimization of high-throughput robotic platforms for reproducible bioprocess development
Abstract
1: Problem statement
2: Bayesian automation hierarchy
3: Implementation in Apache Airflow
4: Case study
5: Concluding remarks
References
Dynamic microbial-community metabolic modeling for yogurt fermentation based on the metagenome of starter culture
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
Multilevel Discrete Modelling of Microbial Cell Cultures using Population Balances
Abstract
1: Introduction
2: Mathematical model
3: Multilevel model discretization
4: Results and discussion
5: Summary and conclusions
Acknowledgments
References
Binary Classification of the Endocrine Disrupting Chemicals by Artificial Neural Networks
Abstract
1: Introduction
2: Methods and Materials
3: Results and Discussion
4: Conclusion
References
Digital Twins in Pilot Scale Fermentation: Non-Linear State Estimation for Improving Induction Timing
Abstract
1: Introduction
2: Materials & Methods
3: Results & Discussion
Conclusion
Acknowledgements
References
Optimal dosing of thyroid hormones in hypothyroid patients with an individualized compartmental model
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusions
References
Technoeconomic process modelling of waste remediation within a supply chain network
Abstract
1: Introduction
2: Architecture
3: Results
4: Conclusion
References
Spatio-temporal analysis of milk safety under climate change
Abstract
1: Introduction
2: Materials and Methods
3: Results and Discussion
4: Conclusion
Acknowledgement
References
Ensemble Kalman Filter for estimation of intracellular nucleotide sugars from extracellular metabolites in monoclonal antibodies
Abstract
1: Introduction
2: Material and Methods
3: Results & Discussion
4: Conclusion & Outlook
References
Towards a unified multi-scale strategy for bio-manufacturing process development
Abstract
1: Introduction
2: Framework for Biosolutions
3: Case Study: Microalgae
Acknowledgement
References
Development of a framework for simulation of biotechnological processes
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
Acknowledgements
References
Knowledge modelling framework for per-and poly-fluoroalkyl substances (PFAS) treatment solutions
Abstract
1: Introduction
2: Framework Development
3: Future applications and development of PFAS ontology
4: Conclusions
5. References
Combined metabolic modeling and experimental data for enhanced biotechnological production
Abstract
1: Introduction
2: Methods
3: Results and discussion
4: Conclusion
Acknowledgements
References
Machine learning models for predicting membranolytic anticancer peptides
Abstract
1: Introduction
2: Methods
3: Results
4: Conclusion
References
Data-driven prediction of peptide-MHC binding using oscillations of physicochemical properties
Abstract
1: Introduction
2: Methods
3: Results
4: Conclusions
References
A Computational Pipeline to Optimize 3D Scaffolds for Cancer Immunotherapy
Abstract
1: Introduction
2: The Scaffold Design Process Journey
3: 4D Kauffman Fitness Network
4: Future Work
5: Conclusion
References
Developing Cole-Cole model for Bacillus subtilis fermentation
Abstract
1: Introduction
2: Theory
3: Results and discussion
4: Conclusion
Acknowledgements:
References
Improving accuracy scores of neural network driven QSAR models of mutagenicity
Abstract
1: Introduction
2: Methods
3: Results and Analysis
4: Conclusions
Acknowledgements
References
Investigating tunable experiment variable effects on hiPSC-CMs maturation via unsupervised learning
Abstract
1: Introduction
2: Experimental Procedure for hiPSC-CM Production and Data Collection
3: Clustering Algorithms
4: Metrics Used for Evaluating Clustering Results
5: Results and Discussion
6: Conclusions and Future Directions
7: Acknowledgments
References
On the systematic development of large-scale kinetics using stability criteria and high-throughput analysis of curated dynamics from genome-scale models
Abstract
1: Introduction
2: Pilot study: Muconic acid production from S.cerevisiae
3: Methods and Materials
4: Methodology
5: Results and Discussion
6: Conclusion
Acknowledgments
References
T6: Multi scale energy systems engineering (organized by the EFCE energy section)
Development and assessment of intensification alternatives on the lignocellulosic bioethanol production process
Abstract
1: Introduction
2: Case Study
3: Methodology
4: Results
5: Conclusions
References
Optimal ship-based CO2 transport chains from Mediterranean emission points to the North Sea
Abstract
1: Introduction
2: Modelling framework
3: Mathematical formulation
4: Results
5: Conclusions
References
DynHeat: Heat Exchanger Network Design for Batch Processes via Dynamic Optimization
Abstract
1: Introduction: Heat Integration in Batch Processes
2: The DynHeat Method
3: Application to a Case Study
4: Conclusion
Acknowledgements
References
Process Simulation Approaches to Reduce Commercial Risk of CCS Projects
Abstract
1: Carbon Capture and Storage
2: Commercial Challenges
3: Reducing Commercial Risk with Digital Tools
4: Process Simulation Case Study
5: Conclusions
References
Incorporation of non-linear efficiency constraints in green ammonia production design for cost minimisation
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Strategic participation of a gas-fired power plant in interdependent electricity and natural gas markets under carbon emission trading schemes
Abstract
1: Introduction
2: Mathematical model
3: Application study
4: Results and Discussion
5: Conclusions
Acknowledgments
References
Modeling and optimization of hybrid P/VSA-membrane separation processes for CO2 capture from post combustion flue gas
Abstract
1: Introduction
2: Process modeling
3: Conclusions
Acknowledgements
References
Integration of renewable energy and CO2 capture and utilization technologies for decarbonization of energy intensive process industries
Abstract
1: Introduction
2: Plant configurations and main design assumptions
3: Results and discussions
4: Conclusions
Acknowledgements
References
Simultaneous optimisation of energy recovery and water recirculation in a ceramic plant
Abstract
1: Introduction
2: Contextualization of the Case-study
3: Optimisation Model
4: Post-processing: Economic and Environmental Impact Assessments
5: Conclusions
Acknowledgements
References
Embedding Flexibility to the Design of Pressure-Vacuum Swing Adsorption Processes for CO2 Capture
Abstract
1: Introduction
2: The system
3: The framework
4: Results and Discussion
5: Conclusion
References
Multiple-Model Fault Detection of PEMFC
Abstract
1: Introduction
2: PEMFC Multiscale Degradation Model
3: Fault Diagnosis Approach
4: Simulation Results
5: Conclusion
References
Implications of Heat and Work Integration in Biomass to Fischer-Tropsch Fuels: A simulation Approach
Abstract
1: Introduction
2: Methodology
3: Results and Discussions
Conclusions
References
Modeling and Assessment of Electrochemical Reduction of CO2 in Amine-based Capture Solvents
Abstract
1: Introduction
2: Model Development
3: Results and discussion
4: Conclusions
Acknowledgements
References
Design of CO2 Capture and Mineralization Systems: Integrated Process Optimization and Controllability Assessment in Parallel Infrastructures
Abstract
1: Introduction
2: Models and methods
3: Implementation
4: Results and discussion
5: Conclusions
Acknowledgements
References
Accurately Modeling Hydropower in the USA
Abstract
1: Introduction
2: Methodology
3: Case Study
4: Conclusion
References
Biogas valorisation to liquid fuels: modelling and setting up process targets.
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
Modeling Commercial Fleet Charging and Regulation Strategies via Data-driven Optimization
Abstract
1: Introduction
2: Methodology
3: Case Study and Results
4: Conclusions
References
Economic Benefits from Planned Renewable Installations in the US using Hydrogen and Modular Ammonia Production Units
Abstract
1: Introduction
2: Preliminaries
3: Model Formulation
4: Results and Discussion
5: Conclusion
References
Data-Driven Robust Model Predictive Control on Building Climate Control with Renewable Energy
Abstract
1: Introduction
2: Building Climate Dynamic Model and RMPC Framework
3: Case Study on a Campus Building Adopting Renewable Energy Systems
4: Conclusion
References
Thermodynamic Modelling and Performance Analysis of Power Plant for Switching from Coal to Biomass
Abstract
1: Introduction
2: Process Modelling, Calibration and Validation
3: Results and discussions
4: Conclusion
References
Bottleneck-identification methodology and debottlenecking strategy for heat exchanger network with disturbance
Abstract
1: Introduction
2: Disturbance response scheme and load-shift rules
3: Heat transfer bottleneck identification and debottleneck strategy
4: Case study
5: Conclusions
References
A Power-to-Gas energy system: modeling and operational optimization for seasonal energy supply and storage
Abstract
1: Introduction
2: Modeling of a Power-to-Gas energy system
3: Results and discussion
4: Conclusions
Acknowledgments
References
Liquid organic hydrogen carriers (LOHC) as a solution for the energy transition: a reactor design assessment
Abstract
1: Introduction
2: Reactor modelling
3: Results
4: Conclusions
Acknowledgments
References
Powering Clean and Affordable Energy through Geothermal Integration: A Case Study on Dominica.
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusion
References
Optimal design of a water energy food nexus system through a multi-objective approach
Abstract
1: Introduction
2: Problem definition
3: Case Study
4: Results
5: Conclusions
References
Techno-economic comparison of peaking power plants: OCGT+CCS vs Lithium-ion batteries
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
5. References
Bioenergy with carbon capture and storage (BECCS) – power generation coupled with hydrogen production
Abstract
1: Introduction
2: Process design and modelling
3: Results
4: Conclusion
References
Optimizing the Sustainable Energy Transition: A Case Study on Trinidad and Tobago
Abstract
1: Introduction
2: Methodology
3: 3. Results and Discussion
4: Conclusion
References
Optimal operation of a sustainable water desalination unit integrated a green energy system
Abstract
1: Introduction
2: Problem Formulation
3: Numerical results and discussion
4: Conclusion
References
Optimal production of green hydrogen with grid assistance for enhanced flexibility
Abstract
1: Main Text
2: Introduction
3: Methodology
4: Results and discussion
5: Conclusions and outlook
References
Water sources evaluation for green hydrogen production: a case study in Brazil
Abstract
1: Introduction
2: Methodology
3: Main results
4: Conclusion
References
Sustainable Development Goals assessment of carbon capture on-board
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
Parametric study of the reactive absorption of CO2 for soda ash production
Abstract
1: Introduction
2: Mathematical model
3: Parametric study
4: Results and Discussion
5: Conclusion and Outlook
References
Machine learning enabled modelling and sensitivity analysis for the power generation from a 660 MW supercritical coal power plant
Abstract
1: Introduction
2: Variables identification, data-collection, visualization and pre-processing
3: Development of Artificial Neural Network Model
4: Validation of the developed ANN model
5: Partial-derivative based sensitivity analysis of ANN model
6: Conclusion
Reference
Hydrogen production using renewable energy: solar PV and offshore wind power – An economic evaluation in Bahia.
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
5. References
Resilience-aware multi-scale integration of distributed energy systems
Abstract
1: Introduction
2: Methodology
3: Case study
4: Conclusion
References
Techno-enviro-economic analysis of H2 economy in China from H2 production to utilization
Abstract
1: Introduction
2: Hybrid Power-to-Hydrogen System
3: Model Description
4: Results and Discussion
5: Conclusions
Acknowledgment
References
Towards a novel concept for solid energy storage
Abstract
1: Introduction
2: Process design
3: Results
4: Conclusion
References
Multiobjective optimization of distributed energy systems design through 3E (economic, environmental and exergy) analysis
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
Calcium looping for CO2 capture, H2 and electricity coproduction in coal fired power plants
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
3-E (Energy, Exergy & Ecological) analyses of Chemical Looping Air Separation integrated Oxy-Coal Combustion based Power plant
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
Reliability analysis for robust power-to-X design and storage sizing under renewable uncertainty
Abstract
1: Problem statement
2: Methodology
3: Results and discussion
References
Systematic Development of Strategies for the Decarbonization of Process Utility Systems
Abstract
1: Introduction
2: Problem statement
3: Optimization Approach
4: Case study and results
5: Conclusions
Acknowledgments
References
Energy and Exergy analysis of Biomass Direct Chemical Looping Combustion for CO2 capture and Utilization
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusions
References
End-effect mitigation in multi-period stochastic programming of energy storage operations
Abstract
1: Introduction
2: Methods
3: Results
4: Conclusions
References
How to accurately fast-track sorbent selection for post-combustion CO2 capture? A comparative assessment of data-driven and simplified physical models for screening sorbents
Abstract
1: Introduction
2: Screening methodologies
3: Results and discussion
4: Conclusions
Acknowledgments
References
A framework for decision-making to encourage utilization of residential distributed energy systems in Brazil
Abstract
1: Introduction
2: Problem definition
3: Mathematical model
4: Case study
5: Conclusion
References
Hydrogen infrastructure planning for heat decarbonisation in Great Britain
Abstract
1: Introduction
2: Problem Statement
3: Mathematical Formulation and Hierarchical Solution Approach
4: Case Study
5: Results & Discussion
6: Concluding Remarks
Acknowledgements
References
Optimal Concentrated Solar Plant (CSP) location accounting for social and environmental impact: A three-location study in Spain
Abstract
1: Introduction
2: Problem formulation
3: Solution procedure and Case Study
4: Results
5: Conclusions
Acknowledgments
References
Inventory data generation for prospective lifecycle design through process modeling of energy recovery from waste plastics
Abstract
1: Introduction
2: Material and methodology
3: Result and discussion
4: Conclusion
Acknowledgement
References
Process intensification in a fixed bed reactor for a small-scale process in the stranded assets
Abstract
1: Background
2: Methodology
3: Result and Analysis
4: Conclusions
References
Optimal capacity planning integrating ammonia storage for power and heat decarbonisation
Abstract
1: Introduction
2: Optimisation of integrated production and scheduling of power sector
3: Case study: Power and heat decarbonisation in the UK in 2040
4: Conclusions
References
European Union’s biomass availability for Sustainable Aviation Fuel production and potential GHG emissions reduction in the aviation sector: An analysis using GIS tools for 2030
Abstract
1: Introduction
2: Scope and Boundary
3: Scenario Evaluation
4: Conclusions
References
Statistical modeling of electrodes manufacture for CO2 electroreduction to value-added products.
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Comparative exergoeconomic analysis of two Organic Rankine Cycle (ORC) configurations
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Hybrid polymeric membrane – chemical absorption system for pre-combustion CO2 capture
Abstract
1: Introduction
2: Methodology
3: Results and Discussions
Acknowledgments
References
Electrification of ethylene production: exploring the potential of flexible operation
Abstract
1: Introduction
2: Method
3: Results
4: Conclusion
References
An MINLP model for the optimal design of CO2 transportation infrastructure in industrial clusters
Abstract
1: Background
2: Problem description
3: Mathematical formulation
4: Case study
5: Conclusion
6: Acknowledgement
References
Data Driven Leak Detection in a Real Heat Exchanger in an Oil Refinery
Abstract
1: Introduction
2: Materials and methods
3: Results and Discussion
4: Conclusion
References
Optimization of flash-separation based CO2 purification units
Abstract
1: Introduction
2: CPU Configuration
3: Modelling Methodology
4: Optimization Methodology
5: Results
6: Conclusions & Future works
References
Big data analysis of solar energy fluctuation characteristics and integration of wind-photovoltaic to hydrogen system
Abstract
1: Introduction
2: Wind energy and solar energy basic data collection and analysis
3: Integration of wind-photovoltaic to hydrogen production system
4: Techno-economic and environmental performance analysis
5: Conclusions
References
Dynamic Modeling and Control of CO2 Capture Systems with a Biphasic Solvent
Abstract
1: Introduction
2: Models and methods
3: Implementation
4: Results and discussion
5: Conclusions
Acknowledgements
References
Development of integrated liquid air energy storage systems based on air separation units using waste energy from power plant: A case study of South Korea
Abstract
1: Introduction
2: Method
3: A case study
4: Results and discussion
5: Conclusions
References
A systematic method for performing pinch analysis of the Liquid Air Energy Storage (LAES) process
Abstract
1: INTRODUCTION
2: PINCH ANALYSIS OF LAES PROCESS
3: RESULTS AND DISCUSSION
4: CONCLUSIONS
5 REFERENCES
Climate-zone-based Techno-Economic Assessment of Different Carbon Capture Technologies for Coal-Fired Power Plants
Abstract
1: Introduction
2: Methodology
3: Results and Conclusion
References
Numerical tool for dynamic simulation of anaerobic digesters including an air-inflated double membrane gasholder
Abstract
1: Introduction
2: Model description
3: Case studies
4: Conclusion
References
An iterated double auction model for peer-to-peer electricity trading
Abstract
1: Introduction
2: Method
3: Results and discussion
4: Conclusions
Acknowledgements
References
Comparing operational strategies for alkaline electrolysis systems considering a probabilistic wind power distribution
Abstract
1: Introduction
2: Model
3: Results
4: Conclusion and Outlook
References
Conceptual design of pre-treatment units for co-electrolysis of CO₂ and water
Abstract
1: Introduction
2: Methodology
3: Results & discussion
4: Conclusion & future work
Acknowledgements
References
A Process Design, Intensification, and Modularization Approach for Membrane-Assisted Reaction Systems
Abstract
1: Introduction
2: Process Intensification Synthesis Approach
3: Case Study: Hydrogen Production via Steam Reforming
4: Conclusion
5: Acknowledgement
References
Multiscale design and analysis of templated zeolite for Li-O2 battery with improved discharge capacity
Abstract
1: Introduction
2: Methodology
3: Results and discussions
4: Conclusion
References
Numerical Evaluation of Fuel Utilisation Enhancement Strategies in a Solid Oxide Fuel Cell System Fuelled by Hydrocarbons Mixtures
Abstract
1: Introduction
2: Simulation
3: Results and discussions
4: Conclusions
References
Heat pumping and renewable energy integration for decarbonizing brewery industry and district heating
Abstract
1: Introduction
2: Process description and methods
3: Results and discussion
4: Conclusions
Acknowledgments
References
Dynamic Simulation to Verify Operability of LNG Plants with Post Combustion Carbon Capture
Abstract
1: Introduction
2: Integration of Post Combustion Carbon Capture Systems with Existing Plants
3: Case Study – Analysis of Operability of LNG Plant with PCC Unit
4: Conclusions and Recommendations
References
Optimization of wind farm layout and cable network topology under generalized wake effects
Abstract
1: Introduction
2: The wind farm layout and cable network problem
3: Interferences and wake effect computation
4: MILP formulation
5: Results
6: Conclusions
References
Mixed-integer recourse in industrial demand response scheduling with interruptible load
Abstract
1: Introduction
2: Problem statement
3: Deterministic model formulation
4: Multistage robust formulation with mixed-integer recourse
5: Case study
6: Conclusion
7: Acknowledgements
References
Technoeconomic Assessment of Digestate Valorization for Biogas Plant
Abstract
1: Introduction
2: Digestate Valorization Model
3: Digestate Valorization: A Case Study
4: Conclusions
References
Optimization of Hydrogen systems for prospective Life Cycle Assessment: Well-to-Tank approach
Abstract
1: Introduction
2: Methods and tools
3: Case study
4: Results
5: Conclusions
References
A techno-economic assessment of biomass combustion with CO2 capture technology
Abstract
1: Introduction
2: Biomass power plant with post-combustion CO2 capture
3: Techno-economic assessment
4: Conclusions
Acknowledgments
References
Process Modelling and Pinch Analysis for an Integrated System of Anaerobic Digestion with Digestate Recycling via Hydrothermal Gasification
Abstract
1: Background
2: Methods
3: Results
4: Discussion
5: Conclusion
Acknowledgements
References
Optimization of a continuous multi-stage fluidized bed system for CO2 capture utilizing temperature swing adsorption
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
References
Regional sustainability of food-energy-water nexus considering water stress using multi-objective modeling and optimization
Abstract
1: Introduction
2: Model description
3: Case study of Maharashtra, India
4: Results and discussion
5: Conclusion
References
Toluene as effective LOHC: detailed techno-economic assessment to identify challenges and opportunities
Abstract
1: Introduction
2: Toluene value-chain
3: Methodology
4: Results and discussion
5: Conclusions
References
Evaluation of Methane Mitigation Technologies in the Upstream Oil and Gas Sector using the TEAM Digital Platform
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
Acknowledgments
References
Thermodynamic description of the CO2-AMP-H2O system by ENRTL-RK model
Abstract
1: Introduction
2: Thermodynamic modeling with chemical reaction
3: Simulation of the process
4: Conclusions
References
An Automated Approach for Emission Reduction Cost Calculation
Abstract
1: Introduction
2: Problem Statement
3: Proposed methodology
4: Illustrative Case Study
5: Conclusions
References
Lumped-Parameter Heat Exchanger Models for the Robust Dynamic Modelling of Power Generation Cycles
Abstract
1: Introduction
2: Heat Exchanger Modeling
3: Example: Steam Rankine Cycle Modeling
4: Conclusion
References
Energy and economic analysis of integration of water electrolysis with an oxygen-enriched combustion power plant
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
References
CO2 water-lean capture: Mathematical modelling and analysis of the industrial process
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Conclusion
Acknowledgements
References
Stochastic pinch analysis to target for resources in batch processes
Abstract
1: Introduction
2: Problem statement and mathematical formulation
3: Proposed Algorithm
4: Illustrative example
5: Conclusion
References
T7: Sustainable supply chains and ecosystems
MINLP modelling and optimization of the supply chain for the renewable production of methanol in Mexico
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusions
References
Supply chain optimal planning for revalorization of empty plastic pesticide and fertilizer containers
Abstract
1: Introduction
2: Problem statement
3: Methodology
4: Results
5: Conclusion
6: Acknowledgments
References
Developing a Comprehensive Decision Support Optimization Model for Biofuel Supply Chain
Abstract
1: Introduction
2: Methodologies
3: Result and Discussion
4: Conclusion
References
Investigation of economic and environmental tradeoffs of spatially explicit biomass supply chains towards the production of net-negative biofuels
Abstract
1: Introduction
2: Supply chain and biorefinery model
3: Results
4: Conclusions
References
A MILP-based approach to manage logistics in large industrial gas supply chains
Abstract
1: Introduction
2: Problem Statement
3: Solution strategy and main assumptions
4: Case study and computational results
5: Conclusion
References
Modelling of reverse supply chains in the context οf circular economy
Abstract
1: Introduction
2: Reverse Supply Chains and Circular Economy
3: Case studies from the field of Manufacturing
4: The Reverse Supply Chain framework features
5: Conclusions
Acknowledgments
References
Modular vs centralized manufacturing supply chain: identifying the best solution under uncertainty
Abstract
1: Introduction
2: Case study
3: Methodology
4: Results
5: Conclusions
References
Stochastic Optimization of Agrochemical Supply Chains with Risk Management
Abstract
1: Introduction
2: Problem Statement and Model Formulation
3: Discussion
4: Conclusion
References
Supply Chain Optimization Considering Disruption Demand Uncertainty
Abstract
1: Introduction and Literature Review
2: Methodology
3: Results and Discussion
4: Conclusions
References
Integrating economic, environmental, and social concerns into the design and planning of supply chains using monetization strategies
Abstract
1: Introduction
2: Environmental and social monetization methodologies
3: Problem description and model characterization
4: Case study
5: Results
6: Conclusions
7: Acknowledgements
References
Strategic low-carbon hydrogen supply chain planning under market price uncertainty
Abstract
1: Introduction
2: Mathematical formulation
3: Case study
4: Conclusions
References
Ontology Modelling for Valorisation of Sugarcane Bagasse
Abstract
1: Introduction
2: The SCB Ontology
3: Potential Applications of the SCB Ontology
4: Conclusions and Future Work
Acknowledgements
References
Modelling availability and affordability concerns in the design and planning of pharmaceutical supply chains
Abstract
1: Introduction
2: Problem Definition and Mathematical Formulation
3: Case-Study
4: Results and Discussion
5: Conclusions and Future work
Acknowledgements
References
Optimization of Decentralized Pine Needle-to-Electricity Supply Chain for Almora District of Uttarakhand, India
Abstract
1: Introduction
2: Methodology
3: Results and Discussion
4: Conclusions
References
Life Cycle Assessment of Two Liquid Organic Hydrogen Carriers
Abstract
1: Introduction
2: Context
3: LCA Inventory
4: Methodologies
5: Results and analysis
6: Discussion and conclusions
References
Distribution planning of medical oxygen supply chains under uncertainty
Abstract
1: Motivation
2: Literature review
3: Methodology and mathematical developments
4: Case study
5: Conclusions
Acknowledgements
References
Life-cycle assessment of marine biofuels from thermochemical liquefaction of different olive residues in Spain
Abstract
1: Introduction
2: Methodology
3: Results
4: Conclusion
References
An optimisation approach for the design of distributed solar farms with shared energy storage in Pakistan
Abstract
1: Introduction
2: Model formulation
3: Case study
4: Discussion
5: Conclusion
References
Integrating environmental sustainability in next-generation biopharmaceutical supply chains
Abstract
1: Introduction
2: Methodology
3: Results & Discussion
4: Conclusion
References
Techno-economic assessment of sustainable energy planning on renewable electricity demand-supply networks: A deep learning approach
Abstract
1: Introduction
2: Method
3: A case study
4: Results and discussion
5: Conclusions
References
Evaluation of centralized/decentralized configuration schemes of CO2 electrochemical reduction-based supply chains
Abstract
1: Introduction
2: Mathematical model formulation of CO2-based syngas supply chain
3: Case study – CO2-based syngas supply chains
4: Case study results
5: Conclusion and future work
Acknowledgments
6. References
Optimization of large-scale energy systems to achieve carbon emissions neutrality
Abstract
1: Introduction
2: Methodology for the synthesis of a large-scale renewable energy supply networks
3: Results
Conclusions
References
Multi-objective sustainable supply chain design under uncertainty in energy price
Abstract
1: Introduction
2: Methodology
3: Results and discussion
4: Outlook and further work
Acknowledgements
References
An Ecologically Safe and Socially Just Supply Chain Design for Li-battery
Abstract
1: Introduction
2: Methodology
3: Development of Ecologically Safe and Socially just Supply Chains
4: Conclusions
Acknowledgements
References
Leveraging Semantics and Machine Learning to Automate Circular Economy Operations for the Scrap Metals Industry
Abstract
1: Introduction
2: Semantics & Machine Learning for Scrap Metal
3: Use Cases/Applications
4: Discussion & Conclusions
Acknowledgments
References
System identification of scrap metal shredders under minimal process and feedstock information
Abstract
1: Introduction
2: Shredding process: introduction and background
3: Energy consumption at the shredder Ed˜
4: Estimation of feedstock
5: Results
Acknowledgments
References
T8: Education and knowledge transfer
Development of a user-friendly platform for binary interaction parameter estimation
Abstract
1: Introduction
2: Optimization algorithms
3: Optimization problem
4: Results
5: Conclusions
References
Liquid-Liquid Equilibrium Data Correlation: Predicting a robust and consistent set of initial NRTL parameters
Abstract
1: Introduction
2: Methodology and results
3: Conclusions
Acknowledgments
References
Practical learning activities to increase the interest of university applicants in STEM careers in the era of Industry 4.0
Abstract
1: Introduction
2: Teaching methods
3: Case studies
4: Results and discussion
5: Conclusions
References
Integrating Python in the (bio)chemical engineering curriculum: challenges and opportunities
Abstract
1: Introduction
2: Methods
3: Results and Discussion
4: Learnings and Educational Framework
5: Conclusion
References
An Online Course for Teaching Process Simulation
Abstract
1: Introduction
2: Course Learning Objectives, Syllabus and Schedule
3: Outcomes Assessment
4: Feedback from Students
5: Conclusions
References
Designing an interactive environment to share educational materials and resources. Application to the Geomatics Hub at UniLaSalle Beauvais
Abstract
1: Introduction: teaching geomatics at UniLaSalle – Campus of Beauvais
2: Development of the Geomatics Hub
3: Three years in evaluating the use of the platform
4: Conclusion
References
Immersive learning through simulation: implementing twin screw extrusion in Unity
Abstract
1: Introduction
2: Twin screw extruder modelling
3: Implementation in Unity
4: Results
5: Conclusions
Acknowledgements
References
An Educational Workshop for Effective PSE Course Development
Abstract
1: Introduction
2: Course Development Steps
3: Outline and outcomes of the CAPE Forum 2022 Workshop
4: Conclusions
References
Teaching strategies for the effective use of computational tools within the Chemical Engineering curriculum
Abstract
1: Introduction
2: Computational tools for mathematical modelling and analysis
3: Combination of computational and experimental work
4: Modelling and simulation of more complex PSE concepts
5: Transition to 3rd year capstone design project
6: Conclusions
References
Teaching courses to STEM students – Lessons learned from the Pandemics
Abstract
1: Introduction
2: Lessons Learned
3: Conclusions
Acknowledgments
References
Enhancing Human Machine Interface design using cognitive metrics of process operators
Abstract
1: Introduction
2: Literature Studies
3: Experimental Studies and Methodology
4: Results and discussion
5: Conclusions
References
A Cloud-based Collaborative Interactive Platform for Education and Research in Dynamic Process Modelling
Abstract
1: Introduction
2: The ProMo Workflow
3: Simphony-Remote Web Service
4: The ProMo-Remote Platform
5: Conclusion
Acknowledgements
References
Index

Antonios C. Kokossis

Antonios C. Kokossis serves as the co-director of the National Technology Platform for Sustainable Chemistry, a National Representative of Directorate I (Climate Change & Environment), Affiliate of IEA Bioenergy and EERA Bioenergy, and the Greek Delegate of the Computer Aided Process Engineering (CAPE) group of EFCE. Dr. Kokossis received his Diploma in Chemical Engineering from National Technical University of Athens, Greece and Ph.D. degree in Chemical Engineering from Princeton University (USA). His expertise includes process systems design, modelling, process integration, and optimization. He published academic papers extensively and has consulted with the process industry including UOP, Bayer, Mitsubishi, Eastman, MW Kellogg, BP Oil, Uniliver and more recently, with biorefineries and small companies on renewables

Affiliations and expertise

Co-director, National Technology Platform for Sustainable Chemistry, a National Representative of Directorate I (Climate Change and Environment), Affiliate of IEA Bioenergy and EERA Bioenergy, and the Greek Delegate of the Computer Aided Process Engineering (CAPE) group of EFCE, Athens, Greece

Michael C. Georgiadis

Michael C. Georgiadis is Honorary Senior Research Fellow, Department of Chemical Engineering, Imperial College London. He holds a PhD from Imperial College. His research areas encompass Energy Systems Engineering; Energy Planning and Scheduling; Energy Saving Techniques for the Process Industries; Supply Chain Network Design and Optimisation; Techniques for Project Scheduling; Advanced Process Control of Energy and Production Systems; Modelling , simulation and Dynamic Optimization of oil and gas processes; Computer-Aided Process Design and Synthesis; Design and scheduling of Batch and semi-continuous Processes, Production Planning. Emphasis on food, specialty chemicals and pharmaceutical processes; Optimisation and Control of Drug delivery systems; and Modelling of Biological Systems.

Affiliations and expertise

Honorary Senior Research Fellow, Department of Chemical Engineering, Imperial College London, UK

Efstratios Pistikopoulos

Stratos Pistikopoulos holds a PhD in Chemical Engineering, from Carnegie Mellon University, USA. The objective of his research program is to develop fundamental theory and optimization based methodologies and computational tools that enable process engineers to analyze, design and evaluate process manufacturing systems which are economically attractive, energy efficient and environmentally benign, while at the same time exhibit good performance characteristics like flexibility, controllability, robustness, reliability and safety.

Affiliations and expertise

Director, Texas A&M Energy Institute, Dow Chemical Chair, USA