Multiscale Simulation and Design

Multiscale Simulation and Design, 1st Edition

Multiscale Simulation and Design, 1st Edition,Guy B. Marin,ISBN9780123809858

Advances in Chemical Engineering

G Marin   

Academic Press




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Key Features

  • Updates and informs the reader on the latest research findings using original reviews
  • Written by leading industry experts and scholars
  • Reviews and analyzes developments in the field


Due to the increasing importance of multi-scale computation in engineering, stimulated by the dramatic development of computer technology and understanding of multi-scale structures, an issue on multi-scale simulation and design--or so-called virtual process engineering--is now edited. ACE published an issue with title of multi-scale analysis in 2005 (vol 35). The intention of the present volume is different, trying to elucidate the bottlenecks and to identify the correct directions for the coming years from the process and product engineering point of view. Both fundamental and practical contributions will be provided from academia and industry.


Organic chemists, polymer chemists, biological scientists and chemical engineers working in academia, government and industry

Guy B. Marin

Affiliations and Expertise

Ghent University, Belgium

View additional works by Guy B. Marin

Multiscale Simulation and Design, 1st Edition

  • Meso-Scale Modeling—The Key to Multi-Scale CFD Simulation
    • 1. Meso-Scale Structure—A Common Challenge for Chemical Engineering
    • 2. Multi-Scale CFD—Solutions for High Predictability and Scalability
    • 3. Meso-Scale Modeling—The Key to Multi-Scale Approaches
    • 4. Industrial Applications
    • 5. Summary
    • Nomenclature
    • Acknowledgments
  • The Holistic Strategy in Multi-Scale Modeling
    • 1. Introduction
    • 2. Illustration via Benchmark Examples
    • 3. Structure of Hierarchical Equations
    • 4. System Integration
    • 5. Technological Applications: PEM
    • 6. Technological Applications: Hard Disk Drive
    • 7. Summary and Conclusions
    • Acknowledgment
  • Industrial Applications of Plant-Wide Equation-Oriented Process Modeling—2010
    • 1. Introduction
    • 2. Sequential Modular Solution Techniques Versus Simultaneous Solution Techniques
    • 3. Modeling objectives
    • 4. Model variables
    • 5. Simulation
    • 6. Parameter Estimation and Reconciliation
    • 7. Optimization
    • 8. Summary of Simulate/Optimize/Parameter/Reconcile Cases
    • 9. Model Scope
    • 10. Model Fidelity
    • 11. Embedded Solution Strategies
    • 12. Process Economics
    • 13. Offline and Online Usage
    • 14. Model Maintenance
    • 15. Examples of Industrial Applications
    • 16. CO2 Capture with Aqueous Alkanolamine Solution
    • 17. Modeling CO2 and Absorbent Physical Properties and Chemical Reactions
    • 18. Modeling CO2 Capture Process
    • 19. Modeling CO2 Capture Process and the Plant
    • 20. Modeling Site-Wide Chemical Complex
    • 21. Summary
    • Acknowledgement
  • Molecular Thermodynamic Models for Fluids of Chain-Like Molecules, Applications in Phase Equilibria and Micro-Phase Separation in Bulk and at Interface
    • 1. Introduction
    • 2. Lattice Based Molecular Thermodynamic Model of Polymer Systems
    • 3. Density Functional Theory of Lattice Based Polymer Adsorption
    • 4. Meso-Structures of Polymer Melts Confined in Curved Surfaces
    • 5. Conclusions
  • List Of Symbols
  • Acknowledgments
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