Monte Carlo simulation of two interpenetrating polymer networks: Structure, swelling, and mechanical properties

• Published in: Polymer (Guilford) Vol. 49; no. 7; pp. 1981 - 1992
• Main Authors: Edgecombe, Samuel, Linse, Per
• Format: Journal Article
• Language: English
• Published: Oxford Elsevier Ltd 01-04-2008; Elsevier
• Subjects: Applied sciences; Chemical Sciences; Exact sciences and technology; Fysikalisk kemi; Interpenetrating polymer networks; Kemi; Monte Carlo; Monte Carlo simulation; Natural Sciences; Naturvetenskap; Organic polymers; Physical Chemistry; Physicochemistry of polymers; Properties and characterization; simulation; Solution and gel properties; Static properties; Monte Carlo simulation; Static properties; Interpenetrating polymer networks; Monte Carlo method; Swelling; Computer simulation; Stress strain relation; Mechanical properties; Theoretical study; Polymer; End to end distance; Interpenetrating polymer network; Colloidal gel; Polyelectrolyte; Tensile stress; Distribution function; Conformation
• ISSN: 0032-3861; 1873-2291
• DOI: 10.1016/j.polymer.2008.02.018

The swelling and mechanical properties of various interpenetrating polymer networks (IPNs) were studied. Six networks made from permutations of a moderately crosslinked polyelectrolyte network (ref), a moderately crosslinked neutral polymer network (net1), and a highly crosslinked polyelectrolyte network (net2) were first swollen in water and structural properties such as end-to-end chain lengths and radial distribution functions were compared with the component networks' equilibrium properties. The swelling of composite IPNs was discussed in terms of a balance between the osmotic pressure due to mobile counterions and the restoring force of the network chains, which act in parallel to counteract the osmotic swelling. For the ref–net2 system, the strong stretching of net2 chains increases the network restoring force and the further swelling due to the counterions is suppressed. The swollen networks were then uniaxially stretched, and equilibrium stress–strain plots were obtained up to high extension ratios. The equilibrium volume decreased upon uniaxial extension, and the elastic moduli of IPNs of the A–A type were slightly greater than that of their respective single networks.