chapter  4
28 Pages

MONTE CARLO SIMULATION OF THE THREE-DIMENSIONAL FREE-RADICAL POLYMERIZATION OF TETRAFUNCTIONAL MONOMERS

ByYu. M. Sivergin, S. M. Usmanov, F. R. Gaisin, and A. L. Kovarski

Abstract ................................................................................................... 59 4.1 Introduction .................................................................................... 60 4.2 Setting Up a Problem and the Experimental Part .......................... 61 4.3 Results and Discussion .................................................................. 65 4.4 Conclusion ..................................................................................... 83 References ............................................................................................... 85

ABSTRACT

For the first time in the world practice the results of simulation by Monte Carlo method of the kinetics of three-dimensional free-radical polymerization

of tetrafunctional monomers (TFM) were obtained in the framework of the formation of a unitary three-dimensional structural element (UTDSE) and their structure formation on the simple cubic lattice, depending on the length l of molecules tetrafunctional monomers (l = 1 to 40 ribs of the lattice). Peculiarities of kinetics of changes in parameters such as the degree of polymerization of the Pn UTDSE, the number of radicals, the number of cross-links and cycles, and other characteristics were revealed. It was established that UTDSE are characterized by low levels of Pn for l = 1 and an explanation of this phenomenon was given. The study of the granulometric distribution (GMD) of UTDSE showed that curves of GMDs are bimodal and the probability density of these maximums was calculated.