Computer Modelling of Dense Polymer Systems

The application of the Monte Carlo method and the methods of molecular and Brownian dynamics to the study of the structures and dynamic properties of dense polymer systems with a strong intermolecular interaction is examined. The methodological problems arising in the computer modelling of polymers are discussed. Data obtained in numerical experiments on computers for solutions of macromolecules in a low-molecular-weight solvent, semidilute polymer solutions, liquid and amorphous polymers, as well as partly ordered systems (liquid and rotation crystals) are surveyed. The results of the computer experiments are compared with the conclusions arising from modern analytical theory. The limitations of the numerical methods and the prospects for their further development are considered.
The bibliography includes 195 references.