Chem. J. Chinese Universities ›› 2021, Vol. 42 ›› Issue (3): 875.doi: 10.7503/cjcu20200593
• Polymer Chemistry • Previous Articles Next Articles
LIU Aiqing1,2, XU Wensheng2(), XU Xiaolei2(), CHEN Jizhong2,3(), AN Lijia2,3
Received:
2020-08-23
Online:
2021-03-10
Published:
2020-12-28
Contact:
XU Wensheng,XU Xiaolei,CHEN Jizhong
E-mail:wsxu@ciac.ac.cn;xlxu@ciac.ac.cn;jzchen@ciac.ac.cn
CLC Number:
TrendMD:
LIU Aiqing, XU Wensheng, XU Xiaolei, CHEN Jizhong, AN Lijia. Molecular Dynamics Simulation of Polymer/rod Nanocomposite[J]. Chem. J. Chinese Universities, 2021, 42(3): 875.
L(σ) | Nc | Nr | φ(%) |
---|---|---|---|
42.17 | 2107 | 0 | 0 |
32.90 | 992 | 24 | 0.8 |
32.90 | 990 | 30 | 1 |
42.17 | 2000 | 320 | 5 |
42.17 | 1896 | 632 | 10 |
L(σ) | Nc | Nr | φ(%) |
---|---|---|---|
42.17 | 2107 | 0 | 0 |
32.90 | 992 | 24 | 0.8 |
32.90 | 990 | 30 | 1 |
42.17 | 2000 | 320 | 5 |
42.17 | 1896 | 632 | 10 |
φ(%) | |
---|---|
0 | 19.69 |
0.8 | 21.02 |
1 | 21.54 |
5 | 30.63 |
10 | 46.28 |
φ(%) | |
---|---|
0 | 19.69 |
0.8 | 21.02 |
1 | 21.54 |
5 | 30.63 |
10 | 46.28 |
1 | Caseri W. R., Mater. Sci. Technol., 2006, 22(7), 807—817 |
2 | Edwards D. C., J. Mater. Sci., 1990, 25(10), 4175—4185 |
3 | Buxton G. A., Balazs A. C., Mol. Simul., 2004, 30(4), 249—257 |
4 | Tang L. M., Weder C., ACS Appl. Mater. Interfaces, 2010, 2(4), 1073—1080 |
5 | Hore M. J. A., Frischknecht A. L., Composto R. J., ACS Macro Lett., 2012, 1(1), 115—121 |
6 | Balazs A. C., Emrick T., Russell T. P., Science, 2006, 314(5802), 1107—1110 |
7 | Moniruzzaman M., Winey K. I., Macromolecules, 2006, 39(16), 5194—5205 |
8 | Mao L., Liu Y. J., Fan S. H., Chem. J. Chinese Universities, 2019, 40(8), 1726—1732(毛龙, 刘跃军, 范淑红. 高等学校化学学报, 2019, 40(8), 1726-1732) |
9 | Hule R. A., Pochan D. J., MRS Bull., 2007, 32(4), 354—358 |
10 | Villmow T., Pegel S., John A., Rentenberger R., Potschke P., Mater. Today, 2011, 14(7/8), 340—345 |
11 | Villmow T., John A., Potschke P., Heinrich G., Polymer, 2012, 53(14), 2908—2918 |
12 | Deluca N. W., Elabd Y. A., J. Polym. Sci. Pt. B: Polym. Phys., 2006, 44(16), 2201—2225 |
13 | Kongkanand A., Kuwabata S., Girishkumar G., Kamat P., Langmuir, 2006, 22(5), 2392—2396 |
14 | Rhim J. W., Ng P. K. W., Crit. Rev. Food Sci. Nutr., 2007, 47(4), 411—433 |
15 | Youssef A. M., Polym. Plast. Technol. Eng., 2013, 52(7), 635—660 |
16 | Toprak M. S., McKenna B. J., Waite J. H., Stucky G. D., Chem. Mat., 2007, 19(17), 4263—4269 |
17 | Lin C. C., Cargnello M., Murray C. B., Clarke N., Winey K. I., Riggleman R. A., Composto R. J., ACS Macro Lett., 2017, 6(8), 869—874 |
18 | Luo J. J., Daniel I. M., Compos. Sci. Technol., 2003, 63(11), 1607—1616 |
19 | Singha S., Thomas M. J., IEEE Trns. Dielectr. Electr. Insul., 2008, 15(1), 12—23 |
20 | Shan X. Y., Tai Q. L., Hu Y., Song L., Yuan G. J., Lu Z. M., Chem. J. Chinese Universuties, 2013, 34(10), 2431—2436(单雪影, 台启龙, 胡源, 宋磊, 袁国杰, 卢兆明. 高等学校化学学报, 2013, 34(10), 2431—2436) |
21 | Zhang S. H., He Y. F., Fu R. F., Jiang J., Li Q. B., Gu Y. C., Chen S., Chem. J. Chinese Universities, 2017, 38(6), 1090—1098(张思航, 何永锋, 付润芳, 蒋洁, 李晴碧, 顾迎春, 陈胜. 高等学校化学学报, 2017, 38(6), 1090—1098) |
22 | Bao Z. W., Hou C. M., Shen Z. H., Sun H. Y., Zhang G. Q., Luo Z., Dai Z. Z., Wang C. M., Chen X. W., Li L. B., Yin Y. W., Shen Y., Li X. G., Adv. Mater., 2020, 32(25), 1907227 |
23 | Kalathi J. T., Grest G. S., Kumar S. K., Phys. Rev. Lett., 2012, 109(19), 198301 |
24 | Li Y., Kroger M., Liu W. K., Phys. Rev. Lett., 2012, 109(11), 118001 |
25 | Yamamoto U., Carrillo J. M. Y., Bocharova V., Sokolov A. P., Sumpter B. G., Schweizer K. S., Macromolecules, 2018, 51(6), 2258—2267 |
26 | Yamamoto U., Schweizer K. S., J. Chem. Phys., 2011, 135(22), 224902 |
27 | Yamamoto U., Schweizer K. S., ACS Macro Lett., 2013, 2(11), 955—959 |
28 | Yamamoto U., Schweizer K. S., Macromolecules, 2015, 48(1), 152—163 |
29 | Rudyak V. Y., Krasnolutskii S. L., Ivanov D. A., Microfluid. Nanofluid., 2011, 11(4), 501—506 |
30 | Zhang K., Kumar S. K., ACS Macro Lett., 2017, 6(8), 864—868 |
31 | Karatrantos A., Composto R. J., Winey K. I., Clarke N., J. Chem. Phys., 2017, 146(20), 203331 |
32 | Hall L. M., Jayaraman A., Schweizer K. S., Curr. Opin. Solid State Mat. Sci., 2010, 14(2), 38—48 |
33 | Hooper J. B., Schweizer K. S., Macromolecules, 2006, 39(15), 5133—5142 |
34 | Coleman J. B., Khan U., Gun'ko Y. B., Adv. Mater., 2006, 18(6), 689—706 |
35 | Liu X., Wang W. J., Shao Z. Q., Li L., Chem. J. Chinese Universities, 2018, 39(2), 373—381(刘星, 王文俊, 邵自强, 李磊. 高等学校化学学报, 2018, 39(2), 2373-2381) |
36 | Huynh W. U., Dittmer J. J., Alivisatos A. P., Science, 2002, 295(5564), 2425—2427 |
37 | Min C. Y., Shen X. Q., Shi Z., Chen L., Xu Z. W., Polym. Plast. Technol. Eng., 2010, 49(12), 1172—1181 |
38 | Marconnett A. M., Yamamoto N., Panzer M. A., Wardle B. L., Goodson K. E., ACS Nano, 2011, 5(6), 4818—4825 |
39 | Sonnichsen C., Franzl T., Wilk T., von Plessen G., Feldmann J., Wilson O., Mulvaney P., Phys. Rev. Lett., 2002, 88(7), 077402 |
40 | Bryning M. B., Islam M. F., Kikkawa J. M., Yodh A. G., Adv. Mater., 2005, 17(9), 1186—1191 |
41 | White S. I., Mutiso R. M., Vora P. M., Jahnke D., Hsu S., Kikkawa J. M., Li J., Fischer J. E., Winey K. I., Adv. Funct. Mater., 2010, 20(16), 2709—2716 |
42 | Buxton G. A., Balazs A. C., J. Chem. Phys., 2002, 117(16), 7649—7658 |
43 | Knauert S. T., Douglas J. F., Starr F. W., J. Polym. Sci. Pt. B: Polym. Phys., 2007, 45(14), 1882—1897 |
44 | Tokarev A., Luzinov I., Owens J. R., Kornev K. G., Langmuir, 2012, 28(26), 10064—10071 |
45 | Molaei M., Atefi E., Crocker J. C., Phys. Rev. Lett., 2018, 120(11), 118002 |
46 | Karatrantos A., Composto R. J., Winey K. I., Clarke N., Macromolecules, 2019, 52(6), 2513—2520 |
47 | Choi J., Cargnello M., Murray C. B., Clarke N., Winey K. I., Composto R. J., ACS Macro Lett., 2015, 4(9), 952—956 |
48 | Kremer K., Grest G. S., J. Chem. Phys., 1990, 92(8), 5057—5086 |
49 | Sen S., Xie Y. P., Kumar S. K., Yang H. C., Bansal A., Ho D. L., Hall L., Hooper J. B., Schweizer K. S., Phys. Rev. Lett., 2007, 98(12), 128302 |
50 | Tuteja A., Duxbury P. M., Mackay M. E., Phys. Rev. Lett., 2008, 100(7), 077801 |
51 | Crawford M. K., Smalley R. J., Cohen G., Hogan B., Wood B., Kumar S. K., Melnichenko Y. B., He L., Guise W., Hammouda B., Phys. Rev. Lett., 2013, 110(19), 196001 |
52 | Jouault N., Dalmas F., Said S., di Cola E., Schweins R., Jestin J., Boue F., Macromolecules, 2010, 43(23), 9881—9891 |
53 | Nusser K., Neueder S., Schneider G. J., Meyer M., Pyckhout⁃Hintzen W., Willner L., Radulescu A., Richter D., Macromolecules, 2010, 43(23), 9837—9847 |
54 | Nakatani A. I., Chen W., Schmidt R. G., Gordon G. V., Han C. C., Polymer, 2001, 42(8), 3713—3722 |
55 | Lal J., Sinha S. K., Auvray L., J. De. Phy. II, 1997, 7(11), 1597—1615 |
56 | Tung W. S., Bird V., Composto R. J., Clarke N., Winey K. I., Macromolecules, 2013, 46(13), 5345—5354 |
57 | Picu R. C., Rakshit A., J. Chem. Phys., 2007, 127(14), 144909 |
58 | Muthukumar M., J. Non-Cryst. Solids, 1991, 131, 654—666 |
59 | Muthukumar M., Baumgartner A., Macromolecules, 1989, 22(4), 1937—1941 |
60 | Muthukumar M., Baumgartner A., Macromolecules, 1989, 22(4), 1941—1946 |
61 | Toepperwein G. N., Riggleman R. A., de Pablo J. J., Macromolecules, 2012, 45(1), 543—554 |
62 | Aust C., Kroger M., Hess S., Macromolecules, 1999, 32(17), 5660—5672 |
63 | Link A., Springer J., Macromolecules, 1993, 26(3), 464—471 |
64 | Winkler R. G., Phys. Rev. Lett., 2006, 97(12), 128301 |
65 | Teixeira R. E., Babcock H. P., Shaqfeh E. S. G., Chu S., Macromolecules, 2005, 38(2), 581—592 |
66 | Huang C. C., Sutmann G., Gompper G., Winkler R. G., Epl., 2011, 93(5), 54004 |
67 | Chen W. D., Zhang K. X., Liu L. J., Chen J. Z., Li Y. Q., An L. J., Macromolecules, 2017, 50(3), 1236—1244 |
68 | Xu X. L., Chen J. Z., An L. J., J. Chem. Phys., 2014, 140(17), 174902 |
69 | Schroeder C. M., Teixeira R. E., Shaqfeh E. S. G., Chu S., Macromolecules, 2005, 38(5), 1967—1978 |
70 | Schroeder C. M., Teixeira R. E., Shaqfeh E. S. G., Chu S., Phys. Rev. Lett., 2005, 95(1), 018301 |
71 | Rapaport D. C., The Art of Molecular Dynamics Simulation, Cambridge University Press, New York, 2004 |
72 | Nusser K., Schneider G. J., Pyckhout-Hintzen W., Richter D., Macromolecules, 2011, 44(19), 7820—7830 |
73 | Starr F. W., Douglas J. F., Glotzer S. C., J. Chem. Phys., 2003, 119(3), 1777—1788 |
74 | Pryamitsyn V., Ganesan V., J. Rheol., 2006, 50(5), 655—683 |
[1] | GAO Zhiwei, LI Junwei, SHI Sai, FU Qiang, JIA Junru, AN Hailong. Analysis of Gating Characteristics of TRPM8 Channel Based on Molecular Dynamics [J]. Chem. J. Chinese Universities, 2022, 43(6): 20220080. |
[2] | HU Bo, ZHU Haochen. Dielectric Constant of Confined Water in a Bilayer Graphene Oxide Nanosystem [J]. Chem. J. Chinese Universities, 2022, 43(2): 20210614. |
[3] | ZHANG Mi, TIAN Yafeng, GAO Keli, HOU Hua, WANG Baoshan. Molecular Dynamics Simulation of the Physicochemical Properties of Trifluoromethanesulfonyl Fluoride Dielectrics [J]. Chem. J. Chinese Universities, 2022, 43(11): 20220424. |
[4] | LEI Xiaotong, JIN Yiqing, MENG Xuanyu. Prediction of the Binding Site of PIP2 in the TREK-1 Channel Based on Molecular Modeling [J]. Chem. J. Chinese Universities, 2021, 42(8): 2550. |
[5] | LI Congcong, LIU Minghao, HAN Jiarui, ZHU Jingxuan, HAN Weiwei, LI Wannan. Theoretical Study of the Catalytic Activity of VmoLac Non-specific Substrates Based on Molecular Dynamics Simulations [J]. Chem. J. Chinese Universities, 2021, 42(8): 2518. |
[6] | ZENG Yonghui, YAN Tianying. Vibrational Density of States Analysis of Proton Hydration Structure [J]. Chem. J. Chinese Universities, 2021, 42(6): 1855. |
[7] | QI Renrui, LI Minghao, CHANG Hao, FU Xueqi, GAO Bo, HAN Weiwei, HAN Lu, LI Wannan. Theoretical Study on the Unbinding Pathway of Xanthine Oxidase Inhibitors Based on Steered Molecular Dynamics Simulation [J]. Chem. J. Chinese Universities, 2021, 42(3): 758. |
[8] | NING Qiuyang, LI Wancheng. Preparation of Planar C2H5OH Fast Response Gas Sensor [J]. Chem. J. Chinese Universities, 2020, 41(8): 1745. |
[9] | DAI Lijun, SUN Zhaoyan. Perspective on the Structure and Dynamics of Polymer Chains in Polymer Nanocomposites [J]. Chem. J. Chinese Universities, 2020, 41(5): 924. |
[10] | WANG Yihan,YIN Qiang,DU Kai,YIN Qinjian. Polypyrrole/Polyaniline Nanocomposite Nanotubes with Enhanced Thermoelectric Properties † [J]. Chem. J. Chinese Universities, 2020, 41(1): 175. |
[11] | QU Siying, XU Qin. Different Roles of Some Key Residues in the S4 Pocket of Coagulation Factor Xa for Rivaroxaban Binding † [J]. Chem. J. Chinese Universities, 2019, 40(9): 1918. |
[12] | MAO Long, LIU Yuejun, FAN Shuhong. Preparation and Properties of Polypyrrole Modified Layered Clay/poly(ε-caprolactone) Antibacterial Nanocomposites [J]. Chem. J. Chinese Universities, 2019, 40(8): 1726. |
[13] | MA Yucong, FAN Baomin, WANG Manman, YANG Biao, HAO Hua, SUN Hui, ZHANG Huijuan. Two-step Preparation of Trazodone and Its Corrosion Inhibition Mechanism for Carbon Steel [J]. Chem. J. Chinese Universities, 2019, 40(8): 1706. |
[14] |
CHEN Yan,DONG Xuejiao,SHAN Guiye.
Preparation of Liposome@Ag/Au Nanocomposites and Their Interaction with H2 |
[15] | ZHANG Zhang,WANG Dong,WANG Xiaolei,XU Yan. Regulation of Ester Synthesis Activity of Rhizopus chinensis Lipase† [J]. Chem. J. Chinese Universities, 2019, 40(4): 747. |
Viewed | ||||||
Full text |
|
|||||
Abstract |
|
|||||