1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Simulation of heterogeneous end-coupling reactions in polydisperse polymer blends
Rent:
Rent this article for
USD
10.1063/1.3663614
/content/aip/journal/jcp/135/20/10.1063/1.3663614
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/20/10.1063/1.3663614

Figures

Image of FIG. 1.
FIG. 1.

End-coupling kinetics for bidisperse (2151, 21101) and monodisperse (21, 61, and 91) macromonomers: the dependence of the interfacial copolymer coverage n on scaled time θ (p R = 0.025). Linear (I), saturation (II), autocatalytic (III), and terminal (IV) regimes are separated by the dashed lines. The interface becomes unstable at the saturation time t s.

Image of FIG. 2.
FIG. 2.

Linear and saturation regimes for fully and partially functionalized melts at different probabilities of end-coupling. Linear fits according to Eq. (10) are shown by the dashed lines. The short vertical lines mark the beginning (θ = θln) of logarithmic kinetics for the 2051 and 20101 systems with only long chains functionalized.

Image of FIG. 3.
FIG. 3.

Linear and saturation regimes for fully and partially functionalized melts at different probabilities of end-coupling. Linear fits according to Eq. (9) and (11) are shown by the dashed lines. The short vertical lines mark the end of the linear regime and the beginning (θ = θdiff) of diffusion controlled kinetics for the 2150 and 21100 systems with only short chains functionalized.

Image of FIG. 4.
FIG. 4.

The total interfacial area S (divided by the xy face area of the simulation box) vs. the interfacial copolymer coverage n. Results for p R = 0.25, 0.025 coincide.

Image of FIG. 5.
FIG. 5.

Late stages of end-coupling in the polydisperse melts at different reaction probabilities p R. The black dotted line describes the monodisperse initial system with N A = N B = N = 5. The dashed lines show linear trends (exponential kinetics) for the polydisperse systems.

Image of FIG. 6.
FIG. 6.

Time dependence of the density of units ρ A belonging to long (a) and short (b) macromonomers A in the system 21101 along the z-axis. (c) replots the data of (a) on a bilogarithmic scale, where h = l z /2 − z. The red dashed line demonstrates the diffusion controlled trend in the thickness of a growing microstructured copolymer layer. (d) presents snapshots of the melt morphology at different moments of time. At the snapshots, active ends of the short macromonomers (A particles in orange, B ones in light blue) and copolymer chains (A particles in red, B ones in dark blue) are shown. a AB = 50, p R = 0.25.

Image of FIG. 7.
FIG. 7.

Dependence of the number average polymerization degree of copolymer, 〈N〉, on the interfacial copolymer coverage n for the systems 2151 and 21101.

Tables

Generic image for table
Table I.

Parameters of the reacting polydisperse macromonomers (the same for A and B).

Generic image for table
Table II.

The saturation copolymer coverages at the initial interface, n s, asymptotic interfacial copolymer density during reaction, c*, and equilibrium interfacial copolymer density for a corresponding randomly coupled melt, c S 0 = 1.18 is the area of the initial interface.

Loading

Article metrics loading...

/content/aip/journal/jcp/135/20/10.1063/1.3663614
2011-11-30
2014-04-24
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Simulation of heterogeneous end-coupling reactions in polydisperse polymer blends
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/20/10.1063/1.3663614
10.1063/1.3663614
SEARCH_EXPAND_ITEM