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Mathematical Modeling of NMRP of Styrene–Divinylbenzene over the Pre- and Post-Gelation Periods Including Cyclization

机译:苯乙烯-二乙烯基苯在包括环化的前和后Geation期的NMRP的数学模型

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摘要

Nitroxide-mediated polymerization of styrene-divinylbenzene has been modeled using generating functions of length distributions, pseudo-kinetic propagations, and numerical fractionation with the crosslinking rate depending on generation. Cyclization reactions are tackled by balances of sequences, yielding fair predictions of the measured pendant double bond concentration. With reduction in crosslinking, agreement for the experiments at 90 °C between predicted and measured weight-average, molecular weight, and weight fraction of gel is observed. A much higher relative crosslinking reactivity is observed at 130 °C as compared to 90 °C, likely an effect of the chain mobility.
机译:苯乙烯-二乙烯基苯的一氧化氮介导的聚合反应已使用长度分布,假动力学扩散和数值分馏的生成函数进行了建模,其中交联速率取决于生成情况。通过序列平衡解决环化反应,对所测侧链双键浓度产生合理的预测。随着交联的减少,可以观察到在90°C的实验中,预测的和测量的重均分子量,分子量以及凝胶的重量分数之间的一致性。与90°C相比,在130°C下观察到的相对交联反应性更高,这可能是链迁移率的影响。

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  • 来源
    《Macromolecular reaction engineering》 |2014年第4期|1-19|共19页
  • 作者单位

    Escola PolitÉcnica da Universidade de SÃo Paulo Departamento de Engenharia QuÍmica. Av. Prof. Luciano Gualberto travessa 3 no. 380–Cidade UniversitÁria SÃo Paulo SP Brasil;

    LSRE – Instituto PolitÉcnico de BraganÇa Quinta de Santa ApolÔnia BraganÇa Portugal;

    LSRE – Instituto PolitÉcnico de BraganÇa Quinta de Santa ApolÔnia BraganÇa Portugal;

    LSRE – Instituto PolitÉcnico de BraganÇa Quinta de Santa ApolÔnia BraganÇa Portugal;

    LSRE – Faculdade de Engenharia da Universidade do Porto Porto Portugal;

    Escola PolitÉcnica da Universidade de SÃo Paulo Departamento de Engenharia QuÍmica. Av. Prof. Luciano Gualberto travessa 3 no. 380–Cidade UniversitÁria SÃo Paulo SP Brasil;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    crosslinking; cyclization; modeling; networks; NMRP;

    机译:交联;环化;建模;网络;NMRP;

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