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New multiscale methodology to describe behavior of membranes for CO2 capture
Equation of state models (PC SAFT), combined with the non Equilibrium approach for glassy polymers (NET GP) are implemented with molecular simulation of the polymer structure, to obtain a highly predictive tool for the simulation of membranes for CO2 capture in real conditions.
http://www.sciencedirect.com/science/article/pii/S0376738817305963
