基于分子动力学模拟异氰酸酯接枝改性热塑性树脂/纤维复合材料界面结合机理研究

王风全, 梁森*, 吴召琦, 田程

化工新型材料 ›› 2023, Vol. 51 ›› Issue (12) : 154 -159.

PDF
化工新型材料 ›› 2023, Vol. 51 ›› Issue (12) : 154-159. DOI: 10.19817/j.cnki.issn1006-3536.2023.12.043
科学研究

基于分子动力学模拟异氰酸酯接枝改性热塑性树脂/纤维复合材料界面结合机理研究

    王风全, 梁森*, 吴召琦, 田程
作者信息 +

Study on interfacial bonding mechanism of thermoplastic resin/fiber composites modified by isocyanate grafting based on molecular dynamics simulation

  • Wang Fengquan, Liang Sen, Wu Zhaoqi, Tian Cheng
Author information +
文章历史 +
PDF

摘要

为改善碳纤维增强聚甲基丙烯酸甲酯复合材料(CF/PMMA)之间的界面结合能力,采用六亚甲基二异氰酸酯(HDI)作为中间介质对经过高锰酸钾溶液改性后的碳纤维和盐酸溶液改性后的聚甲基丙烯酸甲酯薄片进行表面接枝处理,基于分子动力学(MD)研究,搭建碳纤维、聚甲基丙烯酸甲酯和六亚甲基二异氰酸酯等材料的分子模型,从活化能、自由能等微观角度预测材料间化学接枝的可能性,通过薄膜叠层的方法制作出复合材料试样,并对试样进行红外光谱分析。结果表明:各材料之间的化学接枝反应从活化能、自由能的角度来预测结果均可行,对制作的实验试样进行红外光谱分析,观察各化学键的红外吸收峰后证明有新的化学键生成,与理论值吻合,可为树脂基复合材料的设计与性能优化提供了参考。

Abstract

In order to improve the interfacial bonding capacity between carbon fiber reinforced polymethylmethacrylate composites (CF/PMMA),hexamethylene diisocyanate (HDI) was used as an intermediate medium to graft the surface of carbon fibers modified by potassium permanganate solution and polymethylmethacrylate sheets modified by hydrochloric acid solution.Based on molecular dynamics (MD) research,the molecular models of carbon fiber,polymethylmethacrylate and hexamethylene diisocyanate were constructed to predict the possibility of chemical grafting between materials from the microscopic perspectives of activation energy and free energy.The composite material samples were prepared by the method of film lamination and analyzed by infrared spectrum.The results showed that it was feasible to predict the results of the chemical grafting reaction between the materials from the perspectives of activation energy and free energy.The infrared spectrum analysis of the prepared experimental samples and the observation of the infrared absorption peaks of the chemical bonds proved that there were new chemical bonds generated,which matched with the theoretical values.It provided a reference for the design and performance optimization of the resin matrix composites.

关键词

异氰酸酯 / 复合材料 / 聚甲基丙烯酸甲酯 / 表面改性 / 分子动力学

Key words

isocyanate / composite / polymethylmethacrylate / surface modification / molecular dynamics

引用本文

引用格式 ▾
基于分子动力学模拟异氰酸酯接枝改性热塑性树脂/纤维复合材料界面结合机理研究[J]. 化工新型材料, 2023, 51(12): 154-159 DOI:10.19817/j.cnki.issn1006-3536.2023.12.043

登录浏览全文

4963

注册一个新账户 忘记密码

参考文献

[1] Wang J Y,Chen L F,Shen W,et al.Research on tensile properties of carbon fiber composite Laminates[J].Polym,2022,14(12):2318-2318.
[2] Xu W X,Lan P,Jiang Y Q,et al.Insights into excluded volume and percolation of soft interphase and conductivity of carbon fibrous composites with core-shell networks[J].Carbon,2020,161(C):392-402.
[3] Liu L,Yan F,Li M,et al.A novel thermoplastic sizing containing graphene oxide functionalized with structural analogs of matrix for improving interfacial adhesion of CF/PES composites[J].Composites Part A:Applied Science and Manufacturing,2018,114:418-428.
[4] Yang W T,Sun J W,Li D Y,et al.Rational design of hierarchical structure of carbon@polyaniline composite with enhanced microwave absorption properties[J].Carbon,2022,194:114-126.
[5] Luo L,Fei J,Duan X,et al.Chemically grafting APS onto MnO2 nanosheets as a new interphase for improving interfacial properties in carbon fiber composites[J].Tribology International,2019,134:145-153.
[6] Jiang P,Liu X D,Li W,et al.Damage characterization of carbon fiber composite pressure vessels based on modal acoustic emission[J].Mater,2022,15(14):4783-4783.
[7] 马利,文安戈,申川川,等.纤维增强树脂复合材料中的褶皱缺陷:微应力无损检测[J].复合材料学报,2022,39(7):3590-3602.
[8] 姚佳伟,冯瑞瑄,牛一凡,等.纳米碳材料/热塑性树脂层间增韧热固性树脂基复合材料研究进展[J].复合材料学报,2022,39(2):528-543.
[9] 田振生,刘大伟,李刚,等.连续纤维增强热塑性树脂预浸料的研究进展[J].玻璃钢/复合材料,2013(Z2):53-58.
[10] 孙友群,林海丹,刘赫,等.自修复热固性树脂材料的研究进展与展望[J].化工新型材料,2021,49(6):25-28.
[11] 周典瑞,高亮,霍红宇,等.热塑性树脂基复合材料用碳纤维上浆剂研究进展[J].复合材料学报,2020,37(8):1785-1795.
[12] Mao H J,Yan H X,Guo W,et al.A three-dimensional viscoelastic analysis of thermoplastic resin matrix composite laminates during hot stamping[J].Materials Research Express,2021,8(1):15306-15306.
[13] Jony B,Thapa M,Roy S,et al.Repeatable self-healing of thermosetting fiber reinforced polymer composites with thermoplastic healant[J].Smart Materials and Structures,2019,28(2):25037-25064.
[14] Tayyab K,Ruzanna A A,Wesley C J,et al.Energy absorption in carbon fiber honeycomb structures manufactured using a liquid thermoplastic resin[J].Journal of Composite Materials,2022,56(9):1335-1348.
[15] 夏礼栋,张琦,高达利,等.聚酰胺/碳纤维复合材料中纤维表面改性研究进展[J].合成树脂及塑料,2022,39(1):73-78.
[16] 黄春旭,陈刚,王启芬,等.碳纤维表面改性技术研究进展[J].工程塑料应用,2022,50(1):170-174.
[17] Sagar Y,Pavan K G,Sunil K R,et al.Effects of electrophoretic deposition process parameters on the mechanical properties of graphene carboxyl-grafted carbon fiber reinforced polymer composite[J].Journal of Applied Polymer Science,2020,137(31):48925-48936.
[18] Mei L,He X D,Li Y B,et al.Grafting carbon nanotubes onto carbon fiber by use of dendrimers[J].Materials Letters,2010,64(22):2505-2508.
[19] Mei L,He X D,Li Y B,et al.Enhancement of composite-metal interfacial adhesion strength by dendrimer[J].Surface and Interface Analysis,2011,43(3):726-733.
[20] Mei L,Li Y B,Wang R G,et al.Multiscale carbon nanotube-carbon fiber reinforcement for advanced epoxy composites with high interfacial strength[J].Polymers and Polymer Composites,2011,19(2/3):107-112.
[21] 马丽春.碳纤维表面化学修饰及其复合材料界面性能研究[D].哈尔滨:哈尔滨工业大学,2016.
[22] 董广雨,丁玉梅,杨卫民,等.超声波-双氧水联合氧化处理连续碳纤维表面的研究[J].北京化工大学学报(自然科学版),2017,44(6):45-49.
[23] Zhang K,Zhang G,Liu B,et al.Effect of aminated polyphenylene sulfide on the mechanical properties of short carbon fiber reinforced polyphenylene sulfide composites[J].Composites Science and Technology,2014,98:57-63.
[24] Karsli N G,Aytac A.Effects of maleated polypropylene on the morphology,thermal and mechanical properties of short carbon fiber reinforced polypropylene composites[J].Materials & Design,2011,32(7):4069-4073.
[25] 张宇宙.碳纤维/环氧树脂界面粘结性能的分子动力学模拟研究[D].哈尔滨:哈尔滨工业大学,2021.
[26] Szabó Tamás,Berkesi Ottó,Forgó Péter,et al.Evolution of surface functional groups in a series of progressively oxidized graphite oxides[J].Chemistry of Materials,2006,18(11):2740-2749.

基金资助

国家自然科学基金(52075280);山东省自然科学基金项目(ZR2019MEE088)

AI Summary AI Mindmap
PDF

624

访问

0

被引

导航
相关文章

AI思维导图

/