Ap. Chatterjee et Rf. Loring, CALCULATION OF THE DYNAMIC STRUCTURE FACTOR IN POLYMER MELTS, The Journal of chemical physics, 101(2), 1994, pp. 1595-1606
In this work, we present calculations of the dynamic structure factor
for monodisperse melts of linear polymers. Our calculations are based
on a model in which a freely jointed chain encounters fluctuating obst
acles whose relaxation is self-consistently determined from that of th
e chain conformation. The calculation of the structure factor is relat
ed to the solution of a one-dimensional random walk with dynamical dis
order, which is treated within the dynamical effective medium approxim
ation. This model has been applied previously to the calculation of th
e self-diffusion coefficient and the mean-squared displacement of a ch
ain segment. We present calculations of the structure factor over a wi
de range of wave vectors, times, and entanglement molecular weights. O
ur predictions are compared with calculations from the theories of Ron
ca and of de Gennes, and with the experimental results for polyethylen
e-butylene-2 obtained by Richter et al. from neutron spin echo measure
ments. Our calculations show semiquantitative agreement with the exper
imentally determined structure factors for the time range accessible t
o these experiments.