METHOD OF ANALYZING MOLECULAR MOTION OF POLYMER COMPOUND AND ANALYSIS PROGRAM

摘要

A method of analyzing the molecular motion of a polymer compound, wherein, based on a reptation theory, associated tube constituting elements for forming position coordinates, orientation vector, the number of monomers within tube constituting elements and entanglement are time-developed S201 according to a Langevin equation over a unit time specified by an expression 3, for inter-tube constituting elements constituting respective polymers produced by coarse-graining the polymers of a polymer compound to be analyzed based on an inter-entanglement-point molecular weight, the number of monomers within tube constituting elements are time-developed S202 according to expression 2, the number of monomers n at a tube constituting elements positioned at respective terminals of polymer is monitored, and associated tube constituting elements forming entanglement are changed according to expression 4.