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.
2011
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.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/103061
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