Modeling of Structure and Reactivity in Zeolites

Modeling of Structure and Reactivity in Zeolites

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Description

Zeolites are among the most complex inorganic materials, with a diverse range of applications. They are attracting increasing attention due to their wide ranging "shape selective" catalytic properties. The first half of this book reviews state of the art zeolite structures and their benefits. Then reactivity, the greatest theoretical challenge in Zeolite chemistry, is discussed.
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Product details

  • Hardback | 320 pages
  • 152 x 229 x 19.05mm | 531g
  • Academic Press Inc
  • San Diego, United States
  • English
  • 2nd edition
  • 0121641406
  • 9780121641405

Table of contents

Zeolites: Structure, Synthesis, And Properties: An Introduction. The Prediction of Zeolite Structures. Lattice Energy and Free Energy Minimisation of Zeolites. Computer Simulations of the Structure, Thermochemistry and Dynamics of Adsorbed Molecules in Zeolite and Related Catalysts. Molecular Dynamic Studies on Zeolite and Related Catalysts. Molecular Dynamics Studies on Zeolites. Computer Graphics. Structural Chemistry of Zeolites: Solid State Electronegativity and Sensitivity Analysis. Quantum Mechanical Studies of Zeolites. Electronic Structure of the Molecules Absorbed in Zeolites. Population Balance Analysis of Zeolite Crystallization. Index.
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