[article]
| Titre : |
The evolution of molecular modeling into a chemical engineering tool |
| Type de document : |
texte imprimé |
| Auteurs : |
Paul, Donald R., Éditeur scientifique |
| Année de publication : |
2010 |
| Article en page(s) : |
pp. 3025–3025 |
| Note générale : |
Industrial Chemistry |
| Langues : |
Anglais (eng) |
| Mots-clés : |
molecular modeling chemical engineering |
| Résumé : |
Molecular modeling has evolved from primitive models like hard spheres and square-wells to sophisticated descriptions of atomistic force laws, from the quantum scale to the mesoscale. To what extent have these models impacted chemical engineering practice? Based on these models, to what extent can chemical engineers design molecular assemblies the way that civil engineers design bridges? This session will address these questions by surveying the models of past, present, and future with an invited panel of experts. |
| ISSN : |
0888-5885 |
| En ligne : |
http://pubs.acs.org/doi/abs/10.1021/ie100022u |
in Industrial & engineering chemistry research > Vol. 49 N° 7 (Avril 2010) . - pp. 3025–3025
[article] The evolution of molecular modeling into a chemical engineering tool [texte imprimé] / Paul, Donald R., Éditeur scientifique . - 2010 . - pp. 3025–3025. Industrial Chemistry Langues : Anglais ( eng) in Industrial & engineering chemistry research > Vol. 49 N° 7 (Avril 2010) . - pp. 3025–3025
| Mots-clés : |
molecular modeling chemical engineering |
| Résumé : |
Molecular modeling has evolved from primitive models like hard spheres and square-wells to sophisticated descriptions of atomistic force laws, from the quantum scale to the mesoscale. To what extent have these models impacted chemical engineering practice? Based on these models, to what extent can chemical engineers design molecular assemblies the way that civil engineers design bridges? This session will address these questions by surveying the models of past, present, and future with an invited panel of experts. |
| ISSN : |
0888-5885 |
| En ligne : |
http://pubs.acs.org/doi/abs/10.1021/ie100022u |
|
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The evolution of molecular modeling into a chemical engineering tool in Industrial & engineering chemistry research, Vol. 49 N° 7 (Avril 2010)
