Computer modelling of microporous materials

• Συγγραφή απο Οργανισμό/Αρχή: ScienceDirect (Online service)
• Άλλοι συγγραφείς: Catlow, C. R. A (Charles Richard Arthur), 1947-, Santen, R. A. van ((Rutger A.)), Smit, B. J 1935- ((Berend J.))
• Μορφή: Ηλεκτρονική πηγή Βιβλίο
• Γλώσσα: English
• Έκδοση: Amsterdam Boston Elsevier Academic Press 2004
• Έκδοση: 1st ed
• Θέματα: Πορώδη υλικά > Υπολογιστική προσομοίωση; Microstructure > Computer simulation; Πορώδη υλικά

Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the disco...

Πίνακας περιεχομένων:

• 1.Static Lattice Modelling and Structure Prediction of Micro- and Meso-Porous Materials
• 2.Adsorption Phenomena in Microporous Materials
• 3.Dynamics of Sorbed Molecules in Zeolites
• 4.Monte Carlo Simulations of Diffusion and Reactions in Zeolites
• 5.Plane Wave Pseudopotential Modelling Studies of Zeolites
• 6.Reaction Mechanisms in Solid Acid Catalysts
• 7.Structure and Reactivity of Metal Ion Species in High Silica Zeolites
• 8.Template Host Interaction and Template Design
• 9.The Interplay of Experiment and Simulation in Zeolite Science