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Informationen zum Autor Edited by ATHANASIOS I. PAPADOPOULOS, Chemical Process and Energy Resources Institute, Centre for Research and Technology Hellas, Greece PANOS SEFERLIS, Department of Mechanical Engineering, Aristotle University of Thessaloniki, Greece Klappentext Computer-aided approaches enable the fast, automated and accurate evaluation of a vast number of process and material characteristics that lead to economically efficient and sustainable CO2 capture systems. In this context, they offer a promising route to exploit experimental know-how and guide the search for novel and efficient CO2 capture processes and materials. This comprehensive volume brings together an extensive collection of systematic computer-aided tools and methods developed in recent years for CO2 capture applications, and presents a structured and organized account of works from internationally acknowledged scientists and engineers, through: modelling of materials and processes based on chemical and physical principles design of materials and processes based on systematic optimization methods utilization of advanced control and integration methods in process and plant-wide operations. The tools and methods described are illustrated through case studies on materials such as solvents, adsorbents and membranes, and on processes such as absorption/desorption, pressure and vacuum swing adsorption, membranes, oxycombustion, solid looping, etc. Process Systems and Materials for CO2 Capture: Modelling, Design, Control and Integration should become the essential introductory resource for researchers and industrial practitioners in the field of CO2 capture technology who wish to explore developments in computer-aided tools and methods. In addition, it aims to introduce CO2 capture technologies to process systems engineers working in the development of general computational tools and methods by highlighting opportunities for new developments to address the needs and challenges in CO2 capture technologies. Inhaltsverzeichnis About the Editors xvii List of Contributors xix Preface xxvii Section 1 Modelling and Design of Materials 1 1 The Development of a Molecular Systems Engineering Approach to the Design of Carbon¿capture Solvents 3 Edward Graham, Smitha Gopinath, Esther Forte, George Jackson, Amparo Galindo, and Claire S. Adjiman 1.1 Introduction 3 1.2 Predictive Thermodynamic Models for the Integrated Molecular and Process Design of Physical Absorption Processes 6 1.3 Describing Chemical Equilibria with SAFT 16 1.4 Integrated Computer¿aided Molecular and Process Design using SAFT 24 1.5 Conclusions 29 List of Abbreviations 30 Acknowledgments 31 References 31 2 Methods and Modelling for Post¿combustion CO2 Capture 43 Philip Fosbøl, Nicolas von Solms, Arne Gladis, Kaj Thomsen, and Georgios M. Kontogeorgis 2.1 Introduction to Post¿combustion CO2 Capture: The Role of Solvents and Some Engineering Challenges 43 2.2 Extended UNIQUAC: A Successful Thermodynamic Model for CCS Applications 49 2.3 CO2 Capture using Alkanolamines: Thermodynamics and Design 60 2.4 CO2 Capture using Ammonia: Thermodynamics and Design 61 2.5 New Solvents: Enzymes, Hydrates, Phase Change Solvents 62 2.6 Pilot Plant Studies: Measurements and Modelling 69 2.7 Conclusions and Future Perspectives 69 List of Abbreviations 74 Acknowledgements 74 References 74 3 Molecular Simulation Methods for CO2 Capture and Gas Separation with Emphasis on Ionic Liquids 79 Niki Vergadou, Eleni Androulaki, and Ioannis G. Economou 3.1 Introduction 79 3.2 Molecular Simulation Methods for Property Calculations 83 3.3 Force Fields 85 3.4 Results and Discussion: The Case of the IO...
