Hc. Ottinger, BROWNIAN DYNAMICS OF RIGID POLYMER-CHAINS WITH HYDRODYNAMIC INTERACTIONS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 50(4), 1994, pp. 2696-2701
With the idea of a broad investigation of the how behavior of dilute p
olymer solutions in mind, the dynamics of polymer chains with rigid co
nstraints and hydrodynamic interactions is formulated in various equiv
alent ways. Starting from a very general diffusion equation of polymer
kinetic theory, equivalent stochastic differential equations of motio
n both in terms of generalized coordinates and in terms of constraint
conditions are derived. Then an efficient Brownian dynamics simulation
algorithm is constructed rigorously, and a convenient expression for
evaluating stresses in simulations is suggested. Furthermore, a modifi
ed simulation algorithm, which is appropriate for infinitely stiff rat
her than rigid systems, is discussed.