Abstract
Polymerization of conventional polymers has been widely studied since the last century by forming covalent or mechanical bonds, where the latter leads to intrinsic topological properties of knots and links. However, the conventional perspective of discrete functional groups may suffer from limitation in polymerization of molecular cages by mechanical bonds of links. With a standpoint of combinatorics and statistical mechanics, we develop a practical, both graph based and kinetic model for this distinctive polymerization, indicating their diverse topological isomers and unique termination of polymerization, revealing their novel patterns from conventional linear polymers. This novel pattern and derived model may provide further strategies towards design and modification of molecular cages and their polymerization.
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Title
Codes for integration
Description
Codes for integration by numerical and Monte-Carlo methods.
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