In this work, an atomistic approach is employed to simulate pvT data of polymers at high temperature (in the rubbery region), by using a molecular dynamics tool. Data are then regressed with the desired EoS to obtain the polymer characteristic parameters, which are used to evaluate the gas solubility in the polymer with NET-GP model.

A multiscale method for the prediction of the volumetric and gas solubility behavior of high-Tg polymers

MINELLI, MATTEO;DE ANGELIS, MARIA GRAZIA;SARTI, GIULIO CESARE;DOGHIERI, FERRUCCIO
2011

Abstract

In this work, an atomistic approach is employed to simulate pvT data of polymers at high temperature (in the rubbery region), by using a molecular dynamics tool. Data are then regressed with the desired EoS to obtain the polymer characteristic parameters, which are used to evaluate the gas solubility in the polymer with NET-GP model.
25 th European Symposium on Applied Thermodynamics - Book of Abstracts
101
102
Minelli M.; Heuchel M.; De Angelis M.G.; Hofmann D.; Sarti G.C.; Doghieri F.
File in questo prodotto:
Eventuali allegati, non sono esposti

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11585/103061
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus ND
  • ???jsp.display-item.citation.isi??? ND
social impact