浏览全部资源
扫码关注微信
Molecular Dynamics Study of Comb Polymer Melts under Start-up Shear
- ACTA POLYMERICA SINICA Vol. 53, Issue 12, Pages: 1543-1551(2022)
- 作者机构：
1.吉林大学材料科学与工程学院 长春 130025
2.高分子物理与化学国家重点实验室 中国科学院长春应用化学研究所 长春 130022
- 作者简介：
Xiao-lei Xu, E-mail: xlxu@ciac.ac.cn
- 基金信息：
DOI：10.11777/j.issn1000-3304.2022.22149
CLC：Published：20 December 2022，
Published Online：02 September 2022，
Received：26 April 2022，
Accepted：07 June 2022
- 稿件说明：
移动端阅览
王栋栋,徐晓雷.梳形聚合物在启动剪切下的分子动力学模拟研究[J].高分子学报,2022,53(12):1543-1551.
Wang Dong-dong,Xu Xiao-lei.Molecular Dynamics Study of Comb Polymer Melts under Start-up Shear[J].ACTA POLYMERICA SINICA,2022,53(12):1543-1551.
王栋栋,徐晓雷.梳形聚合物在启动剪切下的分子动力学模拟研究[J].高分子学报,2022,53(12):1543-1551. DOI： 10.11777/j.issn1000-3304.2022.22149.
Wang Dong-dong,Xu Xiao-lei.Molecular Dynamics Study of Comb Polymer Melts under Start-up Shear[J].ACTA POLYMERICA SINICA,2022,53(12):1543-1551. DOI： 10.11777/j.issn1000-3304.2022.22149.
摘要
采用非平衡分子动力学模拟方法研究了接有较短支链的非缠结梳形聚合物熔体对启动剪切流的响应，并与线形聚合物进行了比较. 模拟发现，对不同的剪切强度，接有较短支链的非缠结梳形聚合物熔体的应力-应变响应与线形聚合物的变化趋势基本相同，仅在数值上存在差异. 此外，进一步研究了梳形聚合物在启动剪切下的结构变化. 结果表明，与梳形聚合物的主链相比，短支链在启动剪切下的拉伸较为微弱，且对非缠结梳形聚合物流变行为的影响较弱，致使梳形聚合物在启动剪切场下的性质与线形聚合物相似.
Abstract
The stress and structural behaviors of non-entangled comb polymer melts under start-up shear flow were studied by molecular dynamics simulations
and compared with those of linear polymer. It is found that the stress-strain response of the unentangled comb polymer with short branched chain is almost the same as that of the linear polymer under different shear strengths
and only the numerical difference exists. Under weak shear strength
the stress reaches the platform value after short temporary increase
and there is no stress overshoot behavior. Under strong shear strength
the stress first increases rapidly and then decreases to the plateau value. In this process
there is an overshoot peak. In addition
we further studied the structural properties of comb polymers under start-up shear. Under weak shear strength
the main chain of comb polymer has only slight deformation and orientation and the branched-chain is not basically stretched. Under strong shear strength
the main chain of comb polymer is strongly stretched
but the branch chain still has no obvious change. The results show that compared with the main chain of comb polymer
the branched chain is slightly stretched under start-up shear
which indicates that the influence of branched chain on the rheological behavior of non-entangled comb polymer is weak
so that the properties of comb polymer under start-up shear are similar to those of linear polymer. The simulation results in this paper will help to understand the macroscopic mechanical properties and microstructural changes of comb polymer systems
which are of great significance for designing new polymer materials with desired properties.
关键词
梳形高分子分子动力学模拟启动剪切
Keywords
Comb polymerMolecular dynamicsStart-up shear
references
Chen Tianyou(陈天有), Wang Zihao(王子豪), Xu Zizheng(许子政), Xu Zushun(徐祖顺), Cao Zheng(曹峥). Prog Chem(化学进展), 2020, 32(Z1): 249-261
Bai Yang(白阳), Yan Xiaochen(阎晓晨), Liu Caiping(刘彩萍), Yao Hao(姚灏). Prog Chem(化学进展), 2020, 32(12): 1879-1884. doi:10.7536/PC200408http://dx.doi.org/10.7536/PC200408
Zhu Ziting(朱子霆), Gao Huanhuan(高欢欢), Hu Wenbing(胡文兵). Acta Polymerica Sinica(高分子学报), 2017, (9): 1471-1478. doi:10.11777/j.issnl000-3304.2017.17055http://dx.doi.org/10.11777/j.issnl000-3304.2017.17055
Lapienis G. Prog Polym sci, 2009, 34(9): 852-892. doi:10.1016/j.progpolymsci.2009.04.006http://dx.doi.org/10.1016/j.progpolymsci.2009.04.006
Abbasi M, Faust L, Wilhelm M. Adv Mater, 2019, 31(26): e1806484, n/a. doi:10.1002/adma.201806484http://dx.doi.org/10.1002/adma.201806484
Huang K, Canterbury D P, Rzayev J. Chem Commun, 2010, 46(34): 6326-6328. doi:10.1039/c002447chttp://dx.doi.org/10.1039/c002447c
Huang K, Canterbury D P, Rzayev J. Macromolecules, 2010, 43(16): 6632-6638. doi:10.1021/ma100971whttp://dx.doi.org/10.1021/ma100971w
Wang J, Li J, Wang Y, Li Z, Zhang J. Macromolecules, 2021, 54(16): 7448-7459. doi:10.1021/acs.macromol.1c01180http://dx.doi.org/10.1021/acs.macromol.1c01180
Chen W, Zhang M, Shen W, Du B, Yang J, Zhang Q. Polymers, 2019, 11(1): 60. doi:10.3390/polym11010060http://dx.doi.org/10.3390/polym11010060
Qin Xiaomei(秦笑梅), Chen Yapei(陈亚培). New Chem Mater(化工新型材料), 2020, 48(7): 6-10. doi:10.19817/j.cnki.issn1006-3536.2020.07.002http://dx.doi.org/10.19817/j.cnki.issn1006-3536.2020.07.002
Blencowe A, Tan J F, Goh T K, Qiao G G. Polymer, 2009, 50(1): 5-32. doi:10.1016/j.polymer.2008.09.049http://dx.doi.org/10.1016/j.polymer.2008.09.049
Gao H, Matyjaszewski K. Prog Polym Sci, 2009, 34(4): 317-350. doi:10.1016/j.progpolymsci.2009.01.001http://dx.doi.org/10.1016/j.progpolymsci.2009.01.001
Zhan C, Li S, Cui J, Chen Y. Chinses J Polym Sci, 2015, 33(6): 920-930. doi:10.1007/s10118-015-1651-xhttp://dx.doi.org/10.1007/s10118-015-1651-x
Song Wenqi(宋文琦), Liu Yuyang(刘郁杨). Chem Ind Eng Prog(化工进展), 2011, 30(1): 181-188
Yang Z, Tian X, Liu L, Chen J. Chinses J Polym Sci, 2020, 38(4): 363-370. doi:10.1007/s10118-020-2346-5http://dx.doi.org/10.1007/s10118-020-2346-5
Gao C, Wang Y, Zhu W, Shen Z. Chinses J Polym Sci, 2014, 32(11): 1431-1441. doi:10.1007/s10118-014-1528-4http://dx.doi.org/10.1007/s10118-014-1528-4
Halverson J D, Lee W B, Grest G S, Grosberg A Y, Kremer K. J Chem Phys, 2011, 134(20): 204905. doi:10.1063/1.3587138http://dx.doi.org/10.1063/1.3587138
Yang Zhenyue(杨镇岳), Chen Wenduo(陈文多), Liu Lijun(刘立军), Chen Jizhong(陈继忠). Acta Polymerica Sinica(高分子学报), 2019, 50(11): 1229-1238. doi:10.11777/j.issn1000-3304.2019.19074http://dx.doi.org/10.11777/j.issn1000-3304.2019.19074
Li Aixiang(李爱香), Lu Zaijun(鲁在君). Acta Polymerica Sinica(高分子学报), 2008, (3): 203-208. doi:10.3321/j.issn:1000-3304.2008.03.001http://dx.doi.org/10.3321/j.issn:1000-3304.2008.03.001
Jiang Shan(蒋姗), Xu Xiaomei(徐晓梅), Wang Meiyu(王美玉), Zhu Mengbing(朱梦冰), Yu Qiang(俞强). J Chem Eng Chin Univ(高校化学工程学报), 2015, 29(3): 748-752. doi:10.3969/j.iss.1003-9015.2015.03.037http://dx.doi.org/10.3969/j.iss.1003-9015.2015.03.037
Ren T, Huang X, Tang X. Mater Lett, 2003, 57(12): 1863-1866. doi:10.1016/s0167-577x(02)01090-xhttp://dx.doi.org/10.1016/s0167-577x(02)01090-x
Sharma A, Pande P P. J Polym Mater, 2019, 36(2): 175-194. doi:10.32381/jpm.2019.36.02.6http://dx.doi.org/10.32381/jpm.2019.36.02.6
Wang Kangkang(王康康), Liu Yan(刘闫), Li Rongqiang(李荣强), Cao Weiling(曹卫玲), Ning Sanlong(宁三龙). Contemp Chem Ind(当代化工), 2016, 45(12): 2730-2732. doi:10.3969/j.issn.1671-0460.2016.12.006http://dx.doi.org/10.3969/j.issn.1671-0460.2016.12.006
Snijkers F, Vlassopoulos D. Rheologica Acta, 2014, 53(12): 935-946. doi:10.1007/s00397-014-0799-6http://dx.doi.org/10.1007/s00397-014-0799-6
Liu W, Liu Y, Zeng G, Liu R, Huang Y. Polymer, 2012, 53(4): 1005-1014. doi:10.1016/j.polymer.2012.01.006http://dx.doi.org/10.1016/j.polymer.2012.01.006
Feng C, Li Y, Yang D, Hu J, Zhang X, Huang X. Chem Soc Rev, 2011, 40(3): 1282-1295. doi:10.1039/b921358ahttp://dx.doi.org/10.1039/b921358a
Shi Haifeng(石海峰), Wang Yanpeng(王延鹏). J Tiangong Univ(天津工业大学学报), 2022, 41(1): 34-38. doi:10.3969/j.issn.1671-024x.2022.01.006http://dx.doi.org/10.3969/j.issn.1671-024x.2022.01.006
Lee J H, Driva P, Hadjichristidis N, Wright P J, Rucker S P, Lohse D J. Macromolecules, 2009, 42(4): 1392-1399. doi:10.1021/ma8022662http://dx.doi.org/10.1021/ma8022662
Wijesinghe S, Perahia D, Grest G S. Macromolecules, 2018, 51(19): 7621-7628. doi:10.1021/acs.macromol.8b01449http://dx.doi.org/10.1021/acs.macromol.8b01449
Abbasi M, Faust L, Riazi K. Macromolecules, 2017, 50(15): 5964-5977. doi:10.1021/acs.macromol.7b01034http://dx.doi.org/10.1021/acs.macromol.7b01034
Potemkin I I, Palyulin V V. Polym Sci Ser A+, 2009, 51(2): 123-149. doi:10.1134/s0965545x09020011http://dx.doi.org/10.1134/s0965545x09020011
Tian Haijian(田海健), Ping Jing(平静), Qiao Yangyang(乔阳阳), Shen Zhihao(沈志豪), Fan Xinghe(范星河), Zhou Qifeng(周其凤). Polym Bull(高分子通报), 2014, (8): 1-12
Sheiko S S, Sumerlin B S, Matyjaszewski K. Prog Polym Sci, 2008, 33(7): 759-785. doi:10.1016/j.progpolymsci.2008.05.001http://dx.doi.org/10.1016/j.progpolymsci.2008.05.001
Grest G S, Kremer K, Witten T A. Macromolecules, 1987, 20(6): 1376-1383. doi:10.1021/ma00172a035http://dx.doi.org/10.1021/ma00172a035
Fu C, Sun Z. Chinses J Polym Sci, 2016, 34(9): 1150-1157. doi:10.1007/s10118-016-1831-3http://dx.doi.org/10.1007/s10118-016-1831-3
Kremer K, Grest G S, Carmesin I. Phys Rev Lett, 1988, 61(5): 566-569. doi:10.1103/physrevlett.61.566http://dx.doi.org/10.1103/physrevlett.61.566
Lees A W, Edwards S F. J Phys C, Solid State Phys, 1972, 5(15): 1921-1928. doi:10.1088/0022-3719/5/15/006http://dx.doi.org/10.1088/0022-3719/5/15/006
Xu X, Chen J, An L. J Chem Phys, 2014, 140(17): 174902-174902. doi:10.1063/1.4873709http://dx.doi.org/10.1063/1.4873709
Martys N S, Mountain R D. Phys Rev E, 1999, 59: 3733-3736. doi:10.1103/physreve.59.3733http://dx.doi.org/10.1103/physreve.59.3733
Liu A, Liu L, Xu W, Xu X, Chen J, An L. Chinses J Polym Sci, 2021, 39(3): 387-396. doi:10.1007/s10118-020-2487-6http://dx.doi.org/10.1007/s10118-020-2487-6
Li J, Nie Y, Ma Y, Hu W. Chinses J Polym Sci, 2013, 31(11): 1590-1598. doi:10.1007/s10118-013-1354-0http://dx.doi.org/10.1007/s10118-013-1354-0
Chen J, Jin Z, Yang K. Chinses J Polym Sci, 2015, 33(11): 1562-1573. doi:10.1007/s10118-015-1711-2http://dx.doi.org/10.1007/s10118-015-1711-2
Liu D, Zhou F, Fang K. Chinses J Polym Sci, 2019, 37(5): 518-526. doi:10.1007/s10118-019-2214-3http://dx.doi.org/10.1007/s10118-019-2214-3
Wang Jian(汪健), Shen Jiacong(沈家骢), Zhang Yanshou(张延寿), Liu Jingjiang(刘景江). Acta Polymerica Sinica(高分子学报), 1989, (4): 397-403
Hu Wenbing(胡文兵). Acta Polymerica Sinica(高分子学报), 2021, 52(11): 1424-1426. doi:10.11777/j.issn1000-3304.2021.21234http://dx.doi.org/10.11777/j.issn1000-3304.2021.21234
Yu F, Zhang H, Wang Z, Yu W, Zhoua C. Chinses J Polym Sci, 2010, 28(4): 657-666. doi:10.1007/s10118-010-9174-yhttp://dx.doi.org/10.1007/s10118-010-9174-y
Yu W, Shen G, Zhou X, Li M, Zhang Y, Zhou H, Li D. Chinses J Polym Sci, 2021, 39(12): 1680-1694. doi:10.1007/s10118-021-2606-zhttp://dx.doi.org/10.1007/s10118-021-2606-z
Liu Dongmei(刘冬梅), Liu Mingzhu(刘茗竹), Lu Yuyuan(卢宇源), An Lijia(安立佳), Zhang Hanzhuang(张汉壮). Acta Polymerica Sinica(高分子学报), 2015, (7): 858-866. doi:10.11777/j.issn1000-3304.2015.15055http://dx.doi.org/10.11777/j.issn1000-3304.2015.15055
Snijkers F, Vlassopoulos D, Ianniruberto G, Marrucci G, Lee H, Yang J, Chang T. ACS Macro Lett, 2013, 2(7): 601-604. doi:10.1021/mz400236zhttp://dx.doi.org/10.1021/mz400236z
0
Views
104
下载量
0
CSCD
- L-PDFDownload
- BibTeXDownload
- EndnoteDownload
- RefMan Download
- NoteExpressDownload
- NoteFirstDownload
Publicity Resources
Related Articles
Related Author
Related Institution
- Postal code：100190
- Tel：010-62588927 Email：gfzxb@iccas.ac.cn
- Technical support is provided by Beijing Founder electronics co., LTD 京ICP备05002797号-8
京公网安备11010802024621 - It is recommended to read the content of this site in Chrome&IE9+. Please switch to extreme mode in browser 360.
- Cookies We use cookies to help provide and enhance our service and tailor content. By continuing, you agree to the use of cookies.