K. Feigl et Hc. Ottinger, A NEW CLASS OF STOCHASTIC SIMULATION-MODELS FOR POLYMER STRESS CALCULATION, The Journal of chemical physics, 109(2), 1998, pp. 815-826
We introduce a new class of stochastic models for polymer stresses whi
ch offers a blending of continuum mechanics, network theory and reptat
ion theory. The stochastic dynamics of the model involve two independe
nt Gaussian stochastic processes, Q(1) and Q(2). Associated with each
random vector, ei, is a random variable, Si, that describes the vector
's survival time during which it evolves according to a deterministic
equation of motion. The expression for the stress tensor is an ensembl
e average of f(1)(Q(1)(2),Q(2)(2))Q(1)Q(1) + f(2) (Q(1)(2), Q(2)(2))1Q
(2)Q(2,) where the f(i) are scalar functions of Q(1)(2) = Q(1).Q(1) an
d Q(2)(2) = Q(2).Q(2). The relationship between this new class of mode
ls and the class of factorized Rivlin-Sawyers integral models is indic
ated, and simulation models from this new class are used to predict th
eological behavior of three low-density-polyethylene melts. We find th
at the steady-state sheat data of all three melts, and the time-depend
ent elongational viscosity of one of the melts, can be predicted well
by models with the same f(i), but different probability densities for
S-i which are obtained from the different relaxation spectra. (C) 1998
American Institute of Physics.