Long-lived interchain contacts in polymer melts

Spontaneous breakup of extended monodisperse polymer melts.

We apply continuum mechanical based, numerical modeling to study the dynamics of extended monodisperse polymer melts during the relaxation. The computations are within the ideas of the microstructural "interchain pressure" theory. The computations show a delayed necking resulting in a rupture, as a result of small initial sample imperfections. These ruptures agree with experimental observations.

Structural properties of crystallizable polymer melts: Intrachain and interchain correlation functions.

We present results from constant pressure molecular-dynamics simulations for a bead-spring model of a crystallizable polymer melt. Our model has two main features, a chemically realistic intrachain rigidity and a purely repulsive interaction between nonbonded monomers. By means of intrachain and interchain structure factors we explore polymer conformation and melt structure above and below the ...

comparison between to versions of the SAFT EOS in the study of PVT and VLE phase behavior of pure polymer melts and binary polymer solutions

Frequency dispersion of sound propagation in Rouse polymer melts via generalized dynamic random phase approximation.

An extended generalization of the dynamic random phase approximation (DRPA) for L-component polymer systems is presented. Unlike the original version of the DRPA, which relates the (LxL) matrices of the collective density-density time correlation functions and the corresponding susceptibilities of concentrated polymer systems to those of the tracer macromolecules and so-called broken-links syst...

Conformational Entropy Contributions to the Glass Temperature of Blends of Miscible Polymers

Because of negligible contributions of combinatorial entropy, miscibility of polymers is attributed predominantly to favorable (exothermic) enthalpic effects of mixing, i.e., to strong interactions between the blend components, which have to overcome the cohesive forces acting within the components. Miscibility of amorphous polymers usually is associated with the presence of a single glass temp...