MonteCarlo Simulation of Ester Exchange Reactions in PET/PEN Blends

被引：9

作者：

Mahjub, Alireza ^{[1
]}

Jafari, Seyed Hassan ^{[1
]}

Khonakdar, Hossein Ali ^{[2
]}

Wagenknecht, Udo ^{[3
]}

Heinrich, Gert ^{[3
]}

机构：

[1] Univ Tehran, Sch Chem Engn, Tehran, Iran

[2] Iran Polymer & Petrochem Inst, Tehran, Iran

[3] Leibniz Inst Polymer Res Dresden, D-01069 Dresden, Germany

来源：

MACROMOLECULAR THEORY AND SIMULATIONS | 2013年 / 22卷 / 03期

关键词：

blends; ester exchange reactions; MonteCarlo simulation; PP; PET; INTERCHANGE REACTIONS; CARLO-SIMULATION; TRANSESTERIFICATION REACTION; BULK-POLYMERIZATION; MOLECULAR-WEIGHT; PART; POLY(ETHYLENE-TEREPHTHALATE); MODEL; CRYSTALLIZATION; TEREPHTHALATE);

D O I：

10.1002/mats.201200087

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

MonteCarlo kinetic simulations are performed to study exchange reactions in PET/PEN blends. Chain distribution of the blend is simulated at various mixing conditions. The average length of PET and PEN repeating units decreases with increasing exchange reactions. Derivative of heat flow is modeled at Tg region during mixing. Two peaks are observed on the derivative of heat flow curve at the early stages of mixing, indicating formation of an immiscible blend. With increasing mixing time, miscibility between two phases increasea and the peaks converge toward each other and finally form a single peak. The MonteCarlo simulation results are in fine agreement with experimental data obtained from different systems.

引用

页码：207 / 216

页数：10

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