Statistical simulation of the length distribution of tie chains in the amorphous interlayer of an oriented polymer

Zaitsev, M.G.

doi:10.1016/0032-3950(84)90227-2

Cited by 7 publications

(2 citation statements)

References 12 publications

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“…In this case, the crystalline domains form the cross-link junctions of the network of entropically deforming amorphous bridging or tie chains. These considerations have led to statistical thermodynamics analyses of the deformation of the intercrystalline regions, [1][2][3]26 to yield the thermodynamic equilibrium properties of semicrystalline materials via energy minimization techniques. In addition, Gaylord and Lohse 27,28 have implemented a reflection method for random walk polymer chains between infinite impenetrable barriers for all types of amorphous chains, i.e., bridging chains, floating chains, loops, and anchor chains.…”

Section: Fiber Morphology Effectsmentioning

confidence: 99%

“…1͒. [1][2][3] Various chains and chain fragments are present in the amorphous domain. These include loops, which begin and terminate on the same surface, anchor chains or cilia, which originate from one surface, but are unable to anchor at the facing crystalline wall, floating chains, which have both ends unanchored and bridges or tie chains, which are part of the polymer molecule, lying in the amorphous region, connecting consecutive crystalline domains.…”

Section: Introductionmentioning

confidence: 99%

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Elasticity and photoelasticity relationships for polyethylene terephthalate fiber networks by molecular simulation

Nayak

Das

Nanavati

2008

The Journal of Chemical Physics

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We present a framework for the development of elasticity and photoelasticity relationships for polyethylene terephthalate fiber networks, incorporating aspects of the primary molecular structure. Semicrystalline polymeric fiber networks are modeled as sequentially arranged crystalline and amorphous regions. Rotational isomeric states-Monte Carlo simulations of amorphous chains of up to 360 bonds ͑degree of polymerization, DP= 60͒, confined between and bridging infinite impenetrable crystalline walls, have been characterized by ⍀, the probability density of the intercrystal separation h, and ⌬␤, the polarizability anisotropy. ln ⍀ and ⌬␤ have been modeled as functions of h, yielding the chain deformation relationships. The development has been extended to the fiber network to yield the photoelasticity relationships. We execute our framework by fitting to experimental stress-elongation data and employing the single fitted parameter to directly predict the birefringence-elongation behavior, without any further fitting. Incorporating the effect of strain-induced crystallization into the framework makes it physically more meaningful and yields accurate predictions of the birefringence-elongation behavior.

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