BROWNIAN DYNAMICS OF RIGID POLYMER-CHAINS WITH HYDRODYNAMIC INTERACTIONS

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.