A Molecular Dynamics (MD) study of natrolite, a fibrous Zeolite, was performed using an atom-atom interaction model suitable for all hydrate silicates. The structural properties of the system, deduced from distribution functions and the IR spectrum calculated by Fourier Transform of dipole moment autocorrelation function are presented and compared with experimental data
Molecular dynamics simulation of hydrate silicates. A test on natrolite
FOIS, ETTORE SILVESTRO;GAMBA, ALDO
1987-01-01
Abstract
A Molecular Dynamics (MD) study of natrolite, a fibrous Zeolite, was performed using an atom-atom interaction model suitable for all hydrate silicates. The structural properties of the system, deduced from distribution functions and the IR spectrum calculated by Fourier Transform of dipole moment autocorrelation function are presented and compared with experimental data
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.
