Modelling of Minerals and Silicated Materials:
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 system...
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| Other Authors: | , |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Dordrecht
Springer Netherlands
2002
|
| Series: | Topics in Molecular Organization and Engineering
15 |
| Subjects: | |
| Online Access: | UBT01 Volltext |
| Summary: | 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 |
| Physical Description: | 1 Online-Ressource (IX, 341 p. 81 illus) |
| ISBN: | 9780306469336 |
| DOI: | 10.1007/0-306-46933-2 |
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| 520 | |a 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 | ||
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| id | DE-604.BV045151672 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T08:10:06Z |
| institution | BVB |
| isbn | 9780306469336 |
| language | English |
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| publisher | Springer Netherlands |
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| series2 | Topics in Molecular Organization and Engineering |
| spelling | Modelling of Minerals and Silicated Materials edited by Bernard Silvi, Philippe D’Arco Dordrecht Springer Netherlands 2002 1 Online-Ressource (IX, 341 p. 81 illus) txt rdacontent c rdamedia cr rdacarrier Topics in Molecular Organization and Engineering 15 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 Chemistry Inorganic Chemistry Mineralogy Characterization and Evaluation of Materials Condensed Matter Physics Inorganic chemistry Condensed matter Materials science Silvi, Bernard edt D’Arco, Philippe edt Erscheint auch als Druck-Ausgabe 9780792343332 https://doi.org/10.1007/0-306-46933-2 Verlag URL des Erstveröffentlichers Volltext |
| spellingShingle | Modelling of Minerals and Silicated Materials Chemistry Inorganic Chemistry Mineralogy Characterization and Evaluation of Materials Condensed Matter Physics Inorganic chemistry Condensed matter Materials science |
| title | Modelling of Minerals and Silicated Materials |
| title_auth | Modelling of Minerals and Silicated Materials |
| title_exact_search | Modelling of Minerals and Silicated Materials |
| title_full | Modelling of Minerals and Silicated Materials edited by Bernard Silvi, Philippe D’Arco |
| title_fullStr | Modelling of Minerals and Silicated Materials edited by Bernard Silvi, Philippe D’Arco |
| title_full_unstemmed | Modelling of Minerals and Silicated Materials edited by Bernard Silvi, Philippe D’Arco |
| title_short | Modelling of Minerals and Silicated Materials |
| title_sort | modelling of minerals and silicated materials |
| topic | Chemistry Inorganic Chemistry Mineralogy Characterization and Evaluation of Materials Condensed Matter Physics Inorganic chemistry Condensed matter Materials science |
| topic_facet | Chemistry Inorganic Chemistry Mineralogy Characterization and Evaluation of Materials Condensed Matter Physics Inorganic chemistry Condensed matter Materials science |
| url | https://doi.org/10.1007/0-306-46933-2 |
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