Diffusion in nanoporous materials /

• Κύριος συγγραφέας: Kärger, Jörg
• Άλλοι συγγραφείς: Ruthven, Douglas M. (Douglas Morris), 1938-, Theodorou, Doros Nicolas
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Hoboken : John Wiley & Sons, 2012.
• Θέματα: Porous materials > Diffusion rate.; Diffusion.; Porous materials.; Nanostructured materials.; Engineering.; Civil engineering.; Electronic books.

Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. This book provides an introduction to the fascinat...

Πίνακας περιεχομένων:

• Cover; Related Titles; Title Page; Copyright; Dedication; Preface; Acknowledgements; Part I: Introduction; Chapter 1: Elementary Principles of Diffusion; 1.1 Fundamental Definitions; 1.2 Driving Force for Diffusion; 1.3 Diffusional Resistances in Nanoporous Media; 1.4 Experimental Methods; References; Part II: Theory; Chapter 2: Diffusion as a Random Walk; 2.1 Random Walk Model; 2.2 Correlation Effects; 2.3 Boundary Conditions; 2.4 Macroscopic and Microscopic Diffusivities; 2.5 Correlating Self-Diffusion and Diffusion with a Simple Jump Model; 2.6 Anomalous Diffusion; References.
• Chapter 3: Diffusion and Non-equilibrium Thermodynamics; 3.1 Generalized Forces and Fluxes; 3.2 Self-Diffusion and Diffusive Transport; 3.3 Generalized Maxwell-Stefan Equations; 3.4 Application of the Maxwell-Stefan Model; 3.5 Loading Dependence of Self- and Transport Diffusivities; 3.6 Diffusion at High Loadings and in Liquid-Filled Pores; References; Chapter 4: Diffusion Mechanisms; 4.1 Diffusion Regimes; 4.2 Diffusion in Macro- and Mesopores; 4.3 Activated Diffusion; 4.4 Diffusion in More Open Micropore Systems; References; Chapter 5: Single-File Diffusion.
• 5.1 Infinitely Extended Single-File Systems; 5.2 Finite Single-File Systems; 5.3 Experimental Evidence; References; Chapter 6: Sorption Kinetics; 6.1 Resistances to Mass and Heat Transfer; 6.2 Mathematical Modeling of Sorption Kinetics; 6.3 Sorption Kinetics for Binary Mixtures; References; Part III: Molecular Modeling; Chapter 7: Constructing Molecular Models and Sampling Equilibrium Probability Distributions; 7.1 Models and Force Fields for Zeolite-Sorbate Systems; 7.2 Monte Carlo Simulation Methods; 7.3 Free Energy Methods for Sorption Equilibria.
• 7.4 Coarse-Graining and Potentials of Mean Force; References; Chapter 8: Molecular Dynamics Simulations; 8.1 Statistical Mechanics of Diffusion; 8.2 Equilibrium Molecular Dynamics Simulations; 8.3 Non-equilibrium Molecular Dynamics Simulations; References; Chapter 9: Infrequent Event Techniques for Simulating Diffusion in Microporous Solids; 9.1 Statistical Mechanics of Infrequent Events; 9.2 Tracking Temporal Evolution in a Network of States; 9.3 Example Applications of Infrequent Event Analysis and Kinetic Monte Carlo for the Prediction of Diffusivities in Zeolites; References.
• Part IV: Measurement Methods; Chapter 10: Measurement of Elementary Diffusion Processes; 10.1 NMR Spectroscopy; 10.2 Diffusion Measurements by Neutron Scattering; 10.3 Diffusion Measurements by Light Scattering; References; Chapter 11: Diffusion Measurement by Monitoring Molecular Displacement; 11.1 Pulsed Field Gradient (PFG) NMR: Principle of Measurement; 11.2 The Complete Evidence of PFG NMR; 11.3 Experimental Conditions, Limitations, and Options for PFG NMR Diffusion Measurement; 11.4 Different Regimes of PFG NMR Diffusion Measurement; 11.5 Experimental Tests of Consistency.
• 11.6 Single-Molecule Observation.