Effects of monomer size disparity in model polymer blends

Conference · Tue Dec 30 23:00:00 EST 1997

OSTI ID:560002

McCoy, J D; Tilman, P A; Rottach, D R; Stevenson, C S ^[1]; Plimpton, S J; Curro, J G ^[2]

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1. New Mexico Tech, Socorro, NM (United States)
2. Sandia National Labs., Albuquerque, NM (United States)

Molecular dynamics simulations of binary, athermal blends of chains consisting of 50 tangent sites were carried out over a range of compositions at liquid-like packing fractions. The sites have effective diameters of approximately 1.0 and 1.2 for the two site types. The intra- and inter-chain correlation functions were found, and corrected for finite system size effects. The resulting correlation functions are seen to compare well with liquid state theory. Attractive Lennard-Jones interactions are seen to only slightly perturb the correlation functions in the single phase region, and the value of the Flory-Huggins, enthalpic {chi}-parameter is seen to be strongly effected by the size disparity.

• OSTI ID: 560002
• Report Number(s): CONF-970443--
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CORRELATION FUNCTIONS
LENNARD-JONES POTENTIAL
MIXTURES
POLYMERS