Molecular dynamics simulation study on the structural properties of poly (ethylene terephthalate) under uniaxial extension and thermal shrinkage processes

被引:4
|
作者
Kim, Ki Chul [1 ,2 ]
Jang, Seung Soon [1 ,3 ,4 ]
机构
[1] Georgia Inst Technol, Sch Mat Sci & Engn, Computat NanoBio Technol Lab, 771 Ferst Dr NW, Atlanta, GA 30332 USA
[2] Konkuk Univ, Dept Chem Engn, Seoul 05029, South Korea
[3] Georgia Inst Technol, Inst Elect & Nanotechnol, Atlanta, GA USA
[4] Georgia Inst Technol, Parker H Petit Inst Bioengn & Biosci, Atlanta, GA USA
关键词
PET film; Uniaxial stretching; Thermal shrinkage; Molecular dynamics simulations; Conformation; POLYETHYLENE TEREPHTHALATE; AMORPHOUS POLY(ETHYLENE-TEREPHTHALATE); MECHANICAL-PROPERTIES; TRANSPORT-PROPERTIES; MONOMERIC SEQUENCE; ORIENTATION; RELAXATION; HYDROGELS; FILM;
D O I
10.1016/j.cap.2017.10.019
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In thermal shrinkage process for polyethylene terephthalate (PET) films, PET film is uniaxially stretched and then thermally relaxed. We investigate the effect of heat relaxation temperature on the thermal shrinkage of uniaxially stretched PET film using molecular dynamics simulation method. Through our investigation, we find that the thermal shrinkage ratio of the amorphous PET film is reduced as a function of heat relaxation temperature, whereas the skirt ratio is weakly correlated with the heat relaxation temperature, exhibiting the most negative skirt ratio in the case of the highest thermal shrinkage ratio. Our analysis on the PET film at molecular level further verifies that the trans-gauche transformation observed in ethylene glycol units during the simulated process is a driving force for the thermal shrinkage of uniaxially stretched PET systems. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码:19 / 26
页数:8
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