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Structure and properties of single complex macromolecules and of related bulk systems
Author(s) -
Pakula Tadeusz
Publication year - 2001
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/1521-3900(200109)174:1<393::aid-masy393>3.0.co;2-8
Subject(s) - macromolecule , dendrimer , polymer , chemical physics , catenane , materials science , molecule , linear polymer , molecular dynamics , polymer science , chemistry , computational chemistry , polymer chemistry , organic chemistry , biochemistry , composite material
Structure and dynamics of complex macromolecules in computer simulated systems is analyzed. The algorithm based on cooperative molecular rearrangements is applied to various macromolecular structures represented in a simplified form on the lattice. Various macromolecular architectures such as linear chains, stars, dendrimers, bottle‐brush polymers as well as cyclic chains and catenane are considered both as single molecules and as dense systems corresponding to polymer melts. A broad range of structural parameters characteristic for each system is taken into account. In some cases, the simulation results are compared with the behavior of real systems in which the structure and dynamics has been studied by X‐ray scattering and mechanical spectroscopy, respectively.