Computer simulation of end-linked elastomers. II. Bulk cured tetrafunctional networks

Journal Article · Sun Apr 15 04:00:00 EST 1984 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.447170· OSTI ID:6596823

Leung, Y; Eichinger, B E

Sol--gel distributions at high conversions, simulated by computer with spatial constraints on the distribution of chain ends, are reported for end-linked tetrafunctional systems. The composition of the sol is found to be uniquely dependent upon the functionality f of the cross linker: for f = 4, it mainly consists of linear monomers and oligomers containing one saturated cross linker. The molecular weight distribution of the sol exhibits a shoulder at the trimer due to the relative abundance of the ''bow-tie'' molecule. The populations of various types of dangling ends and loop defects in the gel are given and discussed. Our simulations reveal empirically that the single-loop probability varies with the -3/8 power of the molecular weight of the prepolymers. The power-law dependence of the loop formation on chain length of the prepolymers and the nonrandom nature of the cross-linking reaction is discussed.

• Research Organization: Department of Applied Science, Hong Kong Polytechnic, Hung Hom, Hong Kong
• OSTI ID: 6596823
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 80:8; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360402* -- Polymers & Plastics-- Structure & Phase Studies-- (-1987)
360403 -- Materials-- Polymers & Plastics-- Mechanical Properties-- (-1987)
CHEMICAL REACTIONS
COLLOIDS
COMPUTERIZED SIMULATION
DISPERSIONS
ELASTICITY
GELS
MECHANICAL PROPERTIES
NETWORK ANALYSIS
POLYMERIZATION
POLYMERS
SIMULATION
SOLS
TENSILE PROPERTIES