The evolution of molecular modeling into a chemical engineering tool / Paul, Donald R. in Industrial & engineering chemistry research, Vol. 49 N° 7 (Avril 2010)  

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