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

机译:聚对苯二甲酸乙二醇酯纤维网络的弹性和光弹性关系的分子模拟

摘要

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=60), confined between and bridging infinite impenetrable crystalline walls, have been characterized by Omega, the probability density of the intercrystal separation h, and Delta beta, the polarizability anisotropy. ln Omega and Delta beta 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. (c) 2008
机译:我们提出了发展聚对苯二甲酸乙二醇酯纤维网络的弹性和光弹性关系的框架,并结合了主要分子结构的各个方面。将半结晶聚合物纤维网络建模为依次排列的结晶和非晶区域。欧米茄(Omega),结晶间分离的概率密度h和无定形不可穿透的结晶壁之间的限制和桥接,对多达360个键(聚合度,DP = 60)的无定形链的旋转异构态-蒙特卡罗模拟进行了表征。 δβ,极化率各向异性。 ln Omega和Delta beta已建模为h的函数,产生了链变形关系。开发已扩展到光纤网络以产生光弹性关系。我们通过拟合实验应力-延伸数据并采用单个拟合参数直接预测双折射-延伸行为来执行我们的框架,而无需任何进一步的拟合。将应变诱导结晶的影响纳入框架,使其在物理上更有意义,并能准确预测双折射-伸长行为。 (c)2008年

著录项

  • 作者

    NAYAK K; DAS S; NANAVATI H;

  • 作者单位
  • 年度 2008
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  • 原文格式 PDF
  • 正文语种 eng
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