Connecting irreversible to reversible aggregation: Time and temperature

Abstract

We report molecular dynamics simulations of a gel-forming mixture of ellipsoidal patchy particles with different functionality. We show that in this model, which disfavors the formation of bond-loops, elapsed time during irreversible aggregation-leading to the formation of an extended network-can be formally correlated with equilibrium temperature in reversible aggregation. We also show that it is possible to develop a parameterfree description of the self-assembly kinetics, bringing reversible and irreversible aggregation of loopless branched systems to the same level of understanding as equilibrium polymerization. © 2009 American Chemical Society.

Publication
Journal of Physical Chemistry B

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