Search results for "Worm-like chain"
showing 4 items of 4 documents
Understanding the Multiple Length Scales Describing the Structure of Bottle-brush Polymers by Monte Carlo Simulation Methods
2011
Bottle-brush polymers contain a long flexible macromolecule as a backbone to which flexible side chains are grafted. Through the choice of the grafting density and the length of the side chains the local stiffness of this cylindrical molecular brush can be controlled, but a quantitative understanding of these phenomena is lacking. Monte Carlo simulation results are presented and discussed which address this issue, extractingmesoscopic length scales (such as the cross-sectional radius, persistence length, and contour length of these objects). Large-scale simulations of the bond fluctuation model are combined with simulations of the simple selfavoiding walk (SAW) model with flexibility contro…
Temperature dependence of single chain properties in a binary polymer blend
1996
The temperature dependence of the correlation length of composition fluctuations and single chain statics and dynamics is studied in a symmetric, binary polymer blend. Our Monte Carlo simulation reveals a pronounced shrinking of the chain in the minority phase at low temperatures. However, only a weak temperature dependence of the single chain properties is found above criticality. Especially there is only a weak coupling between the correlation length of composition fluctuations and the relaxation of the internal chain structure. The coherent dynamic structure factor does not show any signs of a spatial restricted motion for our chain length N = 16, which is far below the entanglement leng…
Monte Carlo simulations of chain dynamics in polymer brushes
1994
The bond-fluctuation model of polymer chains has been used to study layers of end-grafted polymers anchoring at repulsive walls for a broad range of chain length, grafting densities and solvent quality. The dynamics of monomers and associated relaxation times are investigated and interpreted by phenomenological theories and scaling arguments. The case is also considered where a chain is cut off from its anchor point and the chain is subsequently expelled from the brush. Both the velocity with which the chain leaves the brush and the associated conformational changes (chain contraction etc.) are analysed and interpreted in terms of recent theoretical concepts.
Standard Definitions of Persistence Length Do Not Describe the Local “Intrinsic” Stiffness of Real Polymer Chains
2010
On the basis of extensive Monte Carlo simulations of lattice models for linear chains under good and Θ solvents conditions, and for bottle-brush polymers under good solvent conditions, different me...