Numerical study of the gel transition in reversible associating polymers.
Four temperatures to characterize the gel transition in reversible associating polymers have been calculated in a novel mixed molecular dynamics/Monte Carlo model. (1) The temperature below which relaxation times no longer show Arrhenius dependence on temperature; (2) the Vogel-Fulcher temperature at which the structural relaxation time extrapolates to infinity; (3) the micelle formation temperature at which the number of reversible bonds sharply increases; and (4) a crossover temperature at which the viscosity exhibits a power law divergence as predicted by mode coupling theory. These specific temperatures are obtained from measurements of diffusivity, specific heat, and network topology.
Baljon
Arlette R C
AR
Department of Physics, San Diego State University, San Diego, California 92182, USA.
Flynn
Danny
D
Krawzsenek
David
D
D003198:Computer Simulation; D005782:Gels / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D044367:Phase Transition; D011108:Polymers / Q000737:chemistry*; D013696:Temperature
D005782:Gels; D011108:Polymers