利用粒子-场表象理论,结合蒙特卡洛模拟方法对双壁碳纳米管嫁接嵌段聚合物刷体系进行计算模拟,通过计算模拟发现:(1)当双壁碳纳米管嫁接嵌段聚合物中A、B组分只存在相互排斥时,双壁碳纳米管中的嵌段聚合物将分层;(2)当双壁碳纳米管嫁接嵌段聚合物中A、B组分存在相互排斥,且A组分或B组分相容时,纳米管中会形成相应的纳米通道,且随着相容性增强,纳米通道更明显;(3)当嵌段聚合物刷的聚合度逐步增加时,其对应的纳米通道将从圆柱形向网状形过渡;(4)随着碳纳米管内壁半径的变化,其纳米通道空间变化很大并存在一个最优内壁半径。
In this paper,using the theory of particle-field representation and Monte Carlo simulation method,a computational simulation was conducted on the grafting block polymer brush system of double walled carbon nanotubes.Through the simulation,it was found that:(1)when the A and B components in the grafting block polymer of double walled carbon nanotubes only repelled each other,the block polymer in the double walled carbon nanotubes would stratify;(2)When there was mutual repulsion between components A and B in the grafting block polymer of double walled carbon nanotubes,and components A or B were compatible,corresponding nanochannels would be formed in the nanotubes,and as the compatibility increased,the nanochannels became more pronounced;(3)As the polymerization degree of the block polymer brush gradually increased,its corresponding nanochannels would transition from cylindrical to mesh like;(4)As the inner wall radius of carbon nanotubes changed,the spatial variation of their nanochannels was significant and there existed an optimal inner wall radius.
[1] 许孔力,许学伟,李丽英,等.碳纳米管/聚合物纳米复合材料研究进展[J].首都师范大学学报(自然科学版),2019,40(5):84-88.
[2] 谢娇,王家俊,俞秋燕,等.碳纳米管/聚合物温差发电复合纺织材料的制备及其性能[J].纺织学报,2018,39(11):50-55.
[3] 贺新福,张小琴,王迪,等.碳纳米管/聚合物基导热复合材料研究进展[J].化工进展,2018,37(8):3038-3044.
[4] Tang Longhao,Wang Yanling,Li Yongfei,et al.Research status and application progress of thermal-induced shape memory polymer[J].Materials for Mechanical Engineering,2019,43(9):1-7.
[5] Hanif S,Iqbal N,Shi X,et al.NiCo-N-doped carbon nanotubes based cathode catalyst for alkaline membrane fuel cell[J].Renewable Energy,2020,154:508-516.
[6] 毕波,王学宝.纳米碳材料在聚合物阻燃中的应用研究进展[J].材料工程,2017,45(5):135-144.
[7] 胡松青,吕强,王志坤,等.碳纳米管/聚合物复合材料界面结合性能的研究进展[J].复合材料学报,2017,34(1):12-22.
[8] 肖立勇,纪登辉.基于粒子-场表象理论对纳米粒子/平行聚合物刷的自组装模拟[J].科学技术与工程,2018,18(23):194-198.
[9] 林敏,王丹丹,刘树威,等.纳米粒子/聚合物复合光热平台的构筑和应用[J].高分子学报,2015(2):133-146.
[10] 亚斌,周秉文,黄炳坤,等.碳纳米管聚合物复合材料弹性模量预测模型研究进展[J].功能材料,2015,46(11):11001-11005.
[11] 戴诗岩,王天鹤,孙宝锋,等.碳纳米管/聚合物薄膜修饰电极的研究进展[J].化工管理,2015(3):99-100.
[12] 李亚男,何文军,杨为民.新型纳米碳材料的应用新进展[J].化工新型材料,2014,42(3):179-182.
[13] 罗锋,胡涛,李佩华,等.碳纳米管分散技术及其与聚合物/硫化镉复合材料研究进展[J].中国材料进展,2018,37(4):288-296.
[14] 孙伟峰,高俊国,郭宁.碳纳米管/聚乙烯复合物分子动力学模拟研究[J].复合材料学报,2014,31(2):286-294.
[15] 王闯,赵朗,贾静,等.混酸功能化碳纳米管掺杂对环氧树脂导电和导热性能的影响[J].电工技术学报,2019,34(S2):457-464.
基金资助
贵州省级一流课程(金课)《大学物理B》(GZSylkc202227);六盘水师范学院科技创新团队项目(LPSSYKJTD201901);六盘水师范学院重点学科建设项目(LPSSYZDXK201801)
PDF
