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...
| Άλλοι συγγραφείς: | Catlow, C. R. A. 1947-, Santen, R. A. van, Smit, B. J. 1935- |
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| Μορφή: | Ηλεκτρονική πηγή |
| Γλώσσα: | English |
| Στοιχεία έκδοσης: |
Amsterdam ; Boston :
Elsevier :
2004.
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| Έκδοση: | 1st ed. |
| Θέματα: | |
| Διαθέσιμο Online: |
http://www.sciencedirect.com/science/book/9780121641375 |
| Ετικέτες: |
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Πίνακας περιεχομένων:
- Static lattice modelling and structure prediction of micro- and mesoporous materials / C.R.A. Catlow, R.G. Bell and B. Slater
- Adsorption phenomena in microporous materials / B. Smit
- Dynamics of sorbed molecules in zeolites / Scott M. Auerbach, Fabien Jousse and Daniel P. Vercauteren
- Dynamic Monte Carlo simulations of diffusion and reactions in zeolites / Frerich J. Keil and Marc-Olivier Coppens
- Planewave pseudopotential modelling studies of zeolites / Julian D. Gale
- Reaction mechanisms in protonic zeolites / Xavier Rozanska and Rutger A. van Santen
- Structure and reactivity of metal ion species in high-silica zeolites / G.M. Zhidomirov, A.A. Shubin and R.A. van Santen
- Template-host interaction and template design / Dewi W. Lewis
- The interplay of simulation and experiment in zeolite science / Clive Freeman and Jθorg-Rθudiger Hill.