30th European Symposium on Computer Aided Chemical Engineering. 30th European symposium on computer aided process engineering. Part A / edited by Sauro Pierucci [and three others].

9780128233788v1_WEB
PART A
Cover
30TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED CHEMICAL ENGINEERING: PART A
Copyright
Contents
Preface
Organizing &
Scientific Committee
Editor Biography
MODELLING AND SIMULATION
Computer-aided Semi-empirical Model of Interphase Mass and Enthalpy Transfer in a Packed Column Distillation Process
Abstract
1. Introduction
2. Modeling Concept
- Shell Balance and Definition
3. Process Simulation
4. Experiment
5. Experimental Results and Similarity Analysis
6. Conclusions
References
Methanol Kinetics from Optimal Dynamic Experiments
Abstract
1. Introduction
2. Kinetic Models
4. Parameter Estimation
5. Results
6. Conclusion
Acknowledgements
References
Rigorous Modelling and Simulation of the Mass transfer on the Trays of a Pilot Scale Distillation column
Abstract
1. Introduction
2. Methodology
3. Results
4. Conclusions
Acknowledgements
References
Development of a Virtual Environment for the Rigorous Design and Optimization of Shell-and-tube heat Exchangers
Abstract
1. Introduction
2. Shell-and-tube heat exchanger models
3. Optimization algorithms
4. Heat exchanger optimization system
5. Case studies
6. Results
7. Conclusions
References
A Multiscale Modelling Approach for the Design of new Polymer Materials
Abstract
1. Introduction
2. Coarse-grain simulations of polymer materials
3. Conclusion
Acknowledgments
References
Structured and Unstructured (Hybrid) Modeling in Precision Medicine
Abstract
1. Introduction
2. Materials and Methods
3. Hierarchical modeling of structured and un-structured models
4. Results
5. Conclusions
Acknowledgement
References.

A Two Carriers Reactor Configuration for Packed Bed Chemical-Looping for Power Generation
Abstract
1. Introduction
2. Kinetic scheme and mathematical model
3. Results and discussion Measurement units, numbers
4. Conclusions
References
Modeling of Liquid-Liquid Phase Transfer Catalysis: Process Intensification via Integration of Process Systems Engineering and Computational Chemistry
Abstract
1. Introduction
2. Modelling Framework
3. Application and Validation
4. Conclusions
References
Investment Planning in Personalised Medicine
Abstract
1. Introduction
2. The model
3. Results and discussion
4. Conclusions
Acknowledgements
References
A Stochastic Modelling Approach to Describe the Effect of Drying Heterogeneity in the Lyophilisation of Pharmaceutical Vaccines
Abstract
1. Introduction
2. Materials and methods
3. Single-vial model
4. Effect of drying heterogeneity: multi-vial stochastic model
5. Conclusions
Acknowledgments
References
CFD Simulation of Film and Rivulet Flows on Microstructured Surfaces
Abstract
1. Introduction
2. Experiments on inclined plates
3. CFD-Modeling
4. Results
5. Conclusions
References
Energy Reduction Potential in Natural Gas Processing through Heat and Process Integration
Abstract
1. Introduction
2. Methodology
3. Heat integration
4. Secondary heat recovery
5. Conclusion
References
An adaptive data-driven modelling and optimization framework for complex chemical process design
Abstract
1. Introduction
2. Introduction to the CryoMan Cycle
3. Developing Surrogate Models
4. Results, Discussion and Conclusions
5. Conclusions
References
Modelling and Optimisation of Middle Vessel Batch Distillation
Abstract
1. Introduction
2. Problem formulation.

3. Development of the Aspen Dynamics model
4. Process optimization
5. Complex operating sequence - separation of a quaternary mixture
6. Conclusions
Acknowledgement
References
Investigation of Heat Transfer Enhancement in a Microchannel Heat Sink with the Aid of Internal Fins: A Metamodel Approach
Abstract
1. Numerical Model
2. Experimental Design
3. Developing a metamodel
4. Overall Performance
5. Conclusion
References
Optimization of RFCC Process Considering Particle Deposition Model
Abstract
1. Introduction
2. Particle deposition model in the dipleg
3. Results and discussion
4. Conclusion
References
Dimethyl Carbonate Production by Urea Transesterification, Process Simulation and Environmental Assessment
Abstract
1. Introduction
2. Process simulation
3. Environmental Assessment
4. Conclusion
Acknowledgments
References
Modeling and Study of Hydrodynamic flow within the Preneutralizer Reactor using CFD Approach
Abstract
1. Introduction
2. Conceptual model of the preneutralizer reactor
3. Mathematical model and calculation setup
4. CFD calculations and Simulation results
Conclusion
References
Modelling and Optimization of a Multi-regional Hydrogen Supply System: a Case Study of China
Abstract
1. Introduction
2. Methodology and scenarios
3. Results and discussion
4. Conclusions
Acknowledgement
References
A Hybrid Modelling Approach to Developing Digital Twins of an Ultra-supercritical Steam Turbine Control Stage
Abstract
1. Introduction
2. Methodology
3. Case study
4. Conclusions
Acknowledgement
References
Stochastic Analyses on Relative Viscosity of Waterin oil Emulsions
Abstract
1. Introduction
2. Experimental methods
3. Theoretical methods
4. Results
5. Conclusions.

References
Acknowledgements
Efficient Data-based Methodology for Model enhancement and Flowsheet analyses for Continuous Pharmaceutical Manufacturing
Abstract
1. Introduction
3. Methodology for Model Enhancement
4. Surrogate-based Feasibility Analysis
5. Conclusions
Acknowledgement
References
Artificial Neural Network to capture the Dynamics of a Dividing Wall Column
Abstract
1. Introduction
2. Case Study
3. Methodology
4. Results
5. Conclusions
References
An Optimal Design of Expansion-contraction Microchannel Based on Blockage Analysis
Abstract
1. Introduction
2. Inertial aggregation and separation of particles in microchannels
3. Structure optimization of the microchannel
4. Results and Discussions
5. Conclusions
References
Comparative Study of Surrogate Modelling Techniques Applied to Three Different Chemical Processes
Abstract
1. Introduction
2. Methodology
3. Results
4. Conclusions
Acknowledgements
References
A Non-Autonomous Relativistic Frame of Reference for Unit Operation Design
Abstract
1. Introduction
2. Modelling
3. Results and Discussion
4. Conclusions
References
Evaluating the Transient Operation of PCC for fast Response gas Turbines in a Future Low-carbon Energy System
Abstract
1. Introduction
2. Model Development
3. Results
4. Conclusion
Acknowledgements
References
Increasing Power System Flexibility to Integrate High Share of Renewable Energy
Abstract
1. Introduction
2. Methodology
3. Case study
4. Conclusions
Acknowledgement
References
A Discrete Modeling Approach for Excess Gibbsenergy Models Combined with Molecular Sampling
Abstract
1. Introduction
2. Discrete modeling of dice-like molecules
3. Molecular sampling
4. Results
5. Conclusions.

References
Reliable Modelling of Twin-screw Extruders by Integrating the Backflow Cell Methodology into a Mechanistic Model
Abstract
1. Introduction
2. General
3. Method and Results
4. Conclusion
Acknowledgements
References
Comparison of two Meta-Heuristics for the Bi-Objective Flexible Job Shop Scheduling Problem with Sequence Dependent Setup Times
Abstract
1. Introduction
2. Modelling Characterization
3. Instances Characterization
4. Results
5. Conclusion
Acknowledgements
References
Simulation of the Crystallization Process based on Cellular Automata
- Snowflake Formation from Pure Water System
Abstract
1. Introduction
2. CA simulation: snowflake formation as an example
3. Results and discussion
4. Conclusion
Acknowledgments
References
A Thermo-Economic Analysis Method for Combined Cycle Power Plants under Flexible Operation Modes
Abstract
1. Introduction
2. Methodology
3. Case study
4. Conclusions
Acknowledgement
References
Two-phase Flow Modelling and Simulation of Gas Purification Column
Abstract
1. Introduction
2. Model development and numerical solution
3. Results and discussion
4. Conclusions
Acknowledgment
References
Parameters Influencing the Rate-based Simulation of CO2 Removal units by Potassium Taurate Solvent
Abstract
1. Introduction
2. Methodology
3. Results and discussion
4. Conclusions
References
Innovative Hybrid Energy System for stable Power and Heat Supply in offshore oil &
gas Installation (HES-OFF): System Design and Grid Stability
Abstract
1. Introduction
2. The HES-OFF hybrid concept
3. Modelling framework
4. Results
5. Conclusions
References
Nonlinear Prediction Model of Blast Furnace Operation Status
Abstract
1. Introduction.

2. Process description.