Journal of Polymer Science Part B: Polymer Physics, Vol.36, No.11, 1995-2003, 1998
Structure and rheology of polymers with arbitrary flexibility : A numerical approach
A numerical approach, based on the configurational distribution function of a polymer chain in flow, has been used to calculate the zero-shear rheological properties. Starting from a bead-spring representation of the chain, the stiffness is introduced by repulsive springs between next nearest neighbors. The connection to models based on the bending equation and their limitation is discussed. To obtain a correct model of a semiflexible chain, an inhomogeneous spring constant has to be used. Calculations have been carried out for the free draining case, and a simple relation between the intrinsic viscosity, the translational diffusion coefficient and the persistence length for arbitrary solvent conditions is proposed.
Keywords:SEMIFLEXIBLE MACROMOLECULES;VISCOELASTIC PROPERTIES;PERSISTENCE LENGTHS;COMPUTER-SIMULATION;DILUTE-SOLUTION;STIFF CHAINS;FLOW FIELD;SHEAR-FLOW;DYNAMICS;MODEL