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《合成橡胶工业》[ISSN:1000-1255/CN:62-1036/TQ]

期数:

2024年5期

页码:

437

栏目:

出版日期:

2024-09-15

文章信息/Info

Title:

Effect of graphene oxide with different oxidation degrees on mechanical properties of styrene-butadiene rubber: Experiment and molecular simulation

文章编号:

1000-1255（2024）05-0432-05

作者:

徐颖淑1; 王 晶1; 2; 温彦威3; Amel MOHAMED1; 陈梦寒1; 杨子凡1; 贾红兵1

（1. 南京理工大学 化学与化工学院，南京 210094； 2.常州职业机电职业技术学院 模具技术学院，江苏 常州 213164；3.上海航天化工应用研究所，浙江 湖州313000）

Author(s):

XU Ying-shu1;  WANG Jing1; 2;  WEN Yan-wei3;  Amel MOHAMED1;  CHEN Meng-han1;  YANG Zi-fan1;  JIA Hong-bing1*

（1. School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China; 2. Institute of Mold Technology, Changzhou Vocational Institute of Mechatronic Technology, Changzhou 213164, China; 3. Shanghai Institute of Aerospace Chemical Application, Huzhou 313000, China）

关键词:

氧化石墨烯; 丁苯橡胶; 增强; 分子模拟; 拉伸强度; 结合能; 相容性

Keywords:

-

分类号:

-

DOI:

DOI:10.19908/j.cnki.ISSN1000-1255.2024.05.0437

文献标识码:

-

摘要:

制备了不同氧化程度的氧化石墨烯（GO）并用以增强丁苯橡胶（SBR），通过实验和分子模拟研究了丁苯橡胶的拉伸性能和结合能。结果表明，当m（高锰酸钾）/m（石墨）为1.8时GO与SBR的相容性最好，界面相互作用最强，有利于应力传递，对SBR具有最好的增强效果。

Abstract:

Graphene oxide (GO) has proven to be an effective reinfor-cing filler for rubber［1］. GO has superior mechanical properties, barrier properties, large specific surface area and abundant oxygen-containing functional groups［2］. However, the change in the oxidation degree of GO has a great effect on its chemical properties, the interaction between GO and the matrix, and the dispersion uniformity in the rubber matrix, which has a great effect on the reinforcement of rubber［3］.　Molecular dynamics (MD) simulation, as a novel, practical and powerful theoretical tool, has been used to obtain detailed information on interfacial interactions, and even provide a route for new designs of high-performance polymer nanocomposites. In this work, GO with different oxidation degrees was prepared and incorporated into styrene-butadiene rubber (SBR) to obtain GO/SBR composites. By combining experiment and MD simulation, the relationship between material microstructure and properties was explored at the molecular level. The typical formulation of rubber compounds was SBR 100 phr (in mass, the same below), GO 1.8 phr, 4010 NA 2.0 phr, zinc oxide 2.0 phr, stearic acid 2.4 phr, accelerator CZ 2.2 phr and sulfur 1.5 phr. The composite samples were named GO-x/SBR, where x represented the mass ratio of potassium permanganate/graphite.　In MD simulation, binding energy (Ebinding) was calculated through Equation(1)［4］: Ebinding = -(Etotal-Efiller-Ematrix), (1)where, Etotal was total energy of the system; Efiller and Ematrix were energy of the filler and rubber matrix, respectively.　The mechanical properties of GO-x/SBR nanocomposites were shown in Table 1. It was found that GO could effectively improve the mechanical properties of the SBR matrix. Tensile strength of GO-1.8/SBR nanocomposites was increased by 267%, indicating that GO with an appropriate oxidation degree could utilize π-π interactions between polar groups and SBR to increases the interfacial interaction sites and result in stress transfer［5］.　The Ebinding calculated by MD simulation of GO/SBR nanocomposites was also shown in Table 1. The Ebinding of GO-1.8/SBR nanocomposites was the highest, indicating that GO-1.8 had the best compatibility with SBR. Combined with the mechanical properties results, the polarity of GO-1.8 was similar to that of SBR and the interfacial interaction was stronger, greatly improving the mechanical properties of SBR nanocomposites［6］.

参考文献/References

［1］ Duan Xiaoyuan, Cheng Shuaishuai, Tao Rongyao, et al. Synergistically enhanced thermal control ability and mechanical properties of natural rubber for tires through a graphene/silica with a dot-face structure [J]. Advanced Composites and Hybrid Materials, 2022, 5(2): 1145-1157.［2］ Bian Huiguang , Xue Junxiu, Hao Guoqiang, et al. High thermal conductivity graphene oxide/carbon nanotubes/butyl rubber composites prepared by a dry ice expansion pre-dispersion flocculation method[J]. Journal of Applied Polymer Science, 2021, 139(14): 51897.［3］ Lim Laipeng, Juan Joonching, Huang Nayming, et al. Effect of graphene oxide particle size on the tensile strength and stabi-lity of natural rubber graphene composite[J]. Materials Science and Engineering (B), 2020, 262: 114762.［4］ Luo Yanlong, Wu Youping, Luo Kaiqiang, et al. Structures and properties of alkanethiol-modified graphene oxide/solution-polymerized styrene butadiene rubber composites: Click chemistry and molecular dynamics simulation[J]. Composites Science and Technology, 2018, 161: 32-38.［5］ Zhang Rui, Li Jiaye, Jerrams S, et al. Constructing a fine dispersion and chemical interface based on an electrostatic self-assembly and aqueous phase compound in GO/SiO2/SBR composites to achieve high-wear resistance in eco-friendly green tires [J]. Chemical Engineering Journal, 2023, 452: 139113.［6］ Zhang Xumin, Xue Xiaodong, Yin Qing, et al. Enhanced compatibility and mechanical properties of carboxylated acrylonitrile butadiene rubber/styrene butadiene rubber by using graphene oxide as reinforcing filler[J]. Composites (Part B): Engineering, 2017, 111: 243-250.

备注/Memo

备注/Memo:

Supported by PetroChina Company Limited Project (2020 B-2711).

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更新日期/Last Update: 1900-01-01