Topics in Molecular Organization and Engineering - 15: Modelling of Minerals and Silicated Materials

Bernard Silvi

ISBN 10: 0792343336 / ISBN 13: 9780792343332

Published by Springer, 1997

About this Item

Aus Bibliothek aussortiert; Leichte Rillen / Abschürfungen / Risse / Knicke; Farbtonänderung; Geknickte Ecken / Seiten. The modeling of minerals and silicated materials is a. difficult challenge faced by Solid StatePhysics, Quantum Chemistry and Molecular Dynamics communities. The difficulty of such a modeling is due to the wide diversity of elements, including heavy atoms,and types of bonding involved in such systems. Moreover, one has to consider infinite either perfect cr- tals or glasses and melts. In the solid state a given chemical composition gives rise to numerous polymorphs, geometricallycloselyrelated. These polymorphs have very similar energies and related thermodynamical pr- erties which explain the complexity of their phase diagrams. The modeling of silicates and minerals covers a wide field of applications ranging from basic research to technology, from Solid State Physics to Earth and Planetary science. The use of modeling techniques yields information of different nature. In the case of chemical studies, we can mention inv- tigations on catalytic processes occurring on surfaces and in zeolite cages. These calculations find possible applications in chemical engineering, in particular in the oil industry.

Seller Inventory # 57f359db-e8fc-4c3e-9f29-406e9b350b3b

Bibliographic Details

• Title: Topics in Molecular Organization and Engineering - 15: Modelling of Minerals and Silicated Materials
• Publisher: Springer
• Publication Date: 1997
• Language: English
• ISBN 10: 0792343336
• ISBN 13: 9780792343332
• Binding: Hardcover
• Condition: Fair
• Seller catalogs:
  • Chemistry

About this title

Synopsis

The modeling of minerals and silicated materials is a. difficult challenge faced by Solid StatePhysics, Quantum Chemistry and Molecular Dynamics communities. The difficulty of such a modeling is due to the wide diversity of elements, including heavy atoms,and types of bonding involved in such systems. Moreover, one has to consider infinite systems: either perfect cr- tals or glasses and melts. In the solid state a given chemical composition gives rise to numerous polymorphs, geometricallycloselyrelated. These polymorphs have very similar energies and related thermodynamical pr- erties which explain the complexity of their phase diagrams. The modeling of silicates and minerals covers a wide field of applications ranging from basic research to technology, from Solid State Physics to Earth and Planetary science. The use of modeling techniques yields information of different nature. In the case of chemical studies, we can mention inv- tigations on catalytic processes occurring on surfaces and in zeolite cages. These calculations find possible applications in chemical engineering, in particular in the oil industry.