The results of recent experiments and ab initio molecular dynamics simulations on chemical reactions (mainly polymerizations) at high pressure are discussed. The dependence of the reaction mechanisms on changes of the electronic structure induced by the pressure and on geometrical and structural constraints is analyzed. The relevance of these results for general models of the solid state reactivity is evidenced.
Activation and control of chemical reactions at very high pressure
Bini R;Ceppatelli M;
2008
Abstract
The results of recent experiments and ab initio molecular dynamics simulations on chemical reactions (mainly polymerizations) at high pressure are discussed. The dependence of the reaction mechanisms on changes of the electronic structure induced by the pressure and on geometrical and structural constraints is analyzed. The relevance of these results for general models of the solid state reactivity is evidenced.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
