Computer modelling of microporous materials
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...
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| Other Authors: | , , |
| Format: | Electronic Book |
| Language: | English |
| Published: |
Amsterdam Boston
Elsevier Academic Press
2004
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| Edition: | 1st ed |
| Subjects: | |
| Online Access: | An electronic book accessible through the World Wide Web; click for information |
Table of Contents:
- 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
