文献类型：期刊文献

英文题名：Structure-Property Relationships of BenzenetrisamideDerivatives as Polypropylene Nucleating Agents: Experimental Evaluationand Predictive Method

作者：Jin, Zhilan[1];Yu, Chao[2];Liu, Xiuming[2];Ma, Zhiyuan[3];Wang, Yanshu[1];Lv, Zilong[1];Li, Jingwen[1];Zhao, Shicheng[1]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, Shanghai Key Lab Multiphase Mat Chem Engn, Shanghai 200237, Peoples R China;[2]CNOOC Inst Chem & Adv Mat, Beijing 100000, Peoples R China;[3]CNOOC Tianjin Res & Design Inst Chem Ind Co Ltd, Tianjin 300131, Peoples R China

年份：2026

卷号：65

期号：28

起止页码：14962

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20263021160602);Scopus(收录号：2-s2.0-105045386114);WOS:【SCI-EXPANDED(收录号:WOS:001813620700001)】；

基金：This work was financially supported by the National Natural Science Foundation of China (grants 21878089).

语种：英文

外文关键词：Chains - Fourier transform infrared spectroscopy - Nuclear magnetic resonance - Nucleation - Plastic products - Sodium compounds - Spectrometers - Tellurium compounds

摘要：Benzene-trisamide (BTA) derivatives have been investigated as efficient nucleating agents for polypropylene. However, a fundamental understanding of their structure-property relationships was lacking. In this work, five side-chain isomeric BTA derivatives were designed, which feature an N-phenylamide core with isomeric side chains: tert-butyl (NA-Te), sec-butyl (NA-Di), isobutyl (NA-Th), cyclobutyl (NA-Cy), n-butyl (NA-Nb). Derivatives were successfully synthesized with structure confirmed by 1H nuclear magnetic resonance (1H NMR) and Fourier transform infrared spectrometer (FTIR). Differential scanning calorimetry (DSC) results showed that all five structures enhanced the crystallization temperature (T c) of iPP. Notably, NA-Te and NA-Di exhibited the highest nucleation effectiveness, increasing T c by 14.6 and 10.0 degrees C, respectively. Furthermore, they reduced the haze of iPP by 74.9% and 67.7%, demonstrating their outstanding optical clarity. The experimental results demonstrated that slight modifications to the side-chain structure led to a marked divergence in the nucleation efficiency. The structure-property relationship of NAs in iPP was elucidated by examining the interactions between NAs and iPP chains through Materials Studio (MS). It was found that NA-Te and NA-Di exhibited stronger interaction compared to other derivatives, which explains their enhanced nucleation efficiency at the molecular level. The simulation results were validated by rheological test, with the NA-Te and NA-Di showing slightly increased complex viscosity over the other three derivatives. The predictive method for evaluating structure-property relationships was proposed and further validated by its application to three new BTA derivatives with C5 side chains. This research enriched the nucleation mechanism of BTA derivatives and offers crucial guidelines for developing high-efficiency polypropylene nucleating agents.