a.Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, College of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China
b.State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
c.NeoTrident Technology Ltd (Beijing), Beijing 100190, China
miaoxp@mail.buct.edu.cn (X.P.M)
chengdj@mail.buct.edu.cn (D.J.C)
lixy@mail.buct.edu.cn (X.Y.L.)
收稿:2017-11-17,
录用:2018-1-26,
网络首发:2018-04-13,
纸质出版:2018-08
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Xue-Pei Miao, Dao-Jian Cheng, Ya-Dong Dai, 等. Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems[J]. Chinese Journal of Polymer Science, 2018,36(8):991-998.
Xue-Pei Miao, Dao-Jian Cheng, Ya-Dong Dai, et al. Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems[J]. Chinese Journal of Polymer Science, 2018, 36(8): 991-998.
Xue-Pei Miao, Dao-Jian Cheng, Ya-Dong Dai, 等. Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems[J]. Chinese Journal of Polymer Science, 2018,36(8):991-998. DOI: 10.1007/s10118-018-2114-y.
Xue-Pei Miao, Dao-Jian Cheng, Ya-Dong Dai, et al. Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems[J]. Chinese Journal of Polymer Science, 2018, 36(8): 991-998. DOI: 10.1007/s10118-018-2114-y.
It has been experimentally shown that epoxide-terminated hyperbranched polyether sulphone (EHBPES) can significantly improve the mechanical properties of traditional diglycidyl ether of bisphenol A/triethylenetetramine (DGEBA/TETA) systems
but the origin of the improvement is still unclear. In this work
we used molecular dynamics (MD) simulations to gain a thorough understanding of the origin of modulus improvement for EHBPES/DGEBA/TETA systems. It is found that the modulus of EHBPES/DGEBA/TETA systems increases with the increase of EHBPES loading. In addition
the crosslinking density
cohesive energy density (CED)
and free volume can be used to understand the modulus for EHBPES/DGEBA/TETA systems. It is shown that the highest modulus is achieved at 7 wt% EHBPES loading due to the highest crosslinking density and CED. When EHBPES loading is below 7 wt%
the higher CED and crosslinking density are responsible for the higher modulus. At higher loadings (> 7 wt%)
the decreased modulus is closely related to the decreased crosslinking density and increased fractional free volume. It is expected that our results could be of great implications for designing high-performance epoxy materials.
Zhang, D.; Chen, Y.; Jia, D . Toughness and reinforcement of diglycidyl ether of bisphenol-A by hyperbranched poly(trimellitic anhydride-butanediol glycol) ester epoxy resin . Polym. Compos. , 2010 . 30 ( 7 ): 918 - 925 . .
Zhang, D.; Jia, D . Toughness and strength improvement of diglycidyl ether of bisphenol-A by low viscosity liquid hyperbranched epoxy resin . J. Appl. Polym. Sci. , 2010 . 101 ( 4 ): 2504 - 2511 . .
Chen, S.; Zhang, D.; Jiang, S.; Jia, D . Preparation of hyperbranched epoxy resin containing nitrogen heterocycle and its toughened and reinforced composites . J. Appl. Polym. Sci. , 2012 . 123 ( 6 ): 3261 - 3269 . DOI: 10.1002/app.v123.6 http://doi.org/10.1002/app.v123.6 .
Zhang, D.; Wu, H.; Li, T.; Zhang, A.; Peng, Y.; Jing, F . Preparation of high-performance flame-retardant hybrid material by hyperbranched polyphosphate ester . Polym. Compos. , 2011 . 32 ( 1 ): 36 - 43 . DOI: 10.1002/pc.v32.1 http://doi.org/10.1002/pc.v32.1 .
Jin, F. L.; Park, S. J . Thermal properties and toughness performance of hyperbranched‐polyimide‐modified epoxy resins . J. Polym. Sci., Part B: Polym. Phys. , 2006 . 44 ( 23 ): 3348 - 3356 . DOI: 10.1002/(ISSN)1099-0488 http://doi.org/10.1002/(ISSN)1099-0488 .
Gan, W.; Zhan, G.; Wang, M.; Yu, Y.; Xu, Y.; Li, S . Rheological behaviors and structural transitions in a polyethersulfone-modified epoxy system during phase separation . Colloid. Polym. Sci. , 2007 . 285 ( 15 ): 1727 - 1731 . DOI: 10.1007/s00396-007-1758-x http://doi.org/10.1007/s00396-007-1758-x .
Pillai, J. P.; Pionteck, J.; Häβbler, R.; Sinturel, C.; Mathew, V. S.; Thomas, S . Effect of cure conditions on the generated morphology and viscoelastic properties of a poly(acrylonitrile-butadiene-styrene) modified epoxy-amine system . Ind. Eng. Chem. Res. , 2012 . 51 ( 6 ): 2586 - 2595 . DOI: 10.1021/ie2011017 http://doi.org/10.1021/ie2011017 .
Nguyen, F. N.; Berg, J. C . Novel core-shell (dendrimer) epoxy tougheners: Processing and hot-wet performance . Composites. Part A , 2008 . 39 ( 6 ): 1007 - 1011 . DOI: 10.1016/j.compositesa.2008.03.005 http://doi.org/10.1016/j.compositesa.2008.03.005 .
Gao, C.; Yan, D . Hyperbranched polymers: from synthesis to applications . Prog. Polym. Sci. , 2004 . 29 ( 3 ): 183 - 275 . DOI: 10.1016/j.progpolymsci.2003.12.002 http://doi.org/10.1016/j.progpolymsci.2003.12.002 .
Lv, J.; Meng, Y.; He, L.; Qiu, T.; Li, X.; Wang, H . Novel epoxidized hyperbranched poly(phenylene oxide): synthesis and application as a modifier for diglycidyl ether of bisphenol A . J. Appl. Polym. Sci. , 2013 . 128 ( 1 ): 907 - 914 . DOI: 10.1002/app.38270 http://doi.org/10.1002/app.38270 .
Luo, L.; Meng, Y.; Qiu, T.; Li, Z.; Yang, J.; Cao, X.; Li, X . Dielectric and mechanical properties of diglycidyl ether of bisphenol a modified by a new fluoro-terminated hyperbranched poly(phenylene oxide) . Polym. Compos. , 2013 . 34 ( 7 ): 1051 - 1060 . DOI: 10.1002/pc.v34.7 http://doi.org/10.1002/pc.v34.7 .
Miao, X.; Meng, Y.; Li, X . Epoxide-terminated hyperbranched polyether sulphone as triple enhancement modifier for DGEBA J . Appl. Polym. Sci. , 2015 . 132 ( 17 ): 41910 - 41920 . .
Miao, X.; Meng, Y.; Li, X . A novel all-purpose epoxy-terminated hyperbranched polyether sulphone toughener for an epoxy/amine system . Polymer , 2015 . 60 88 - 95 . DOI: 10.1016/j.polymer.2015.01.034 http://doi.org/10.1016/j.polymer.2015.01.034 .
Liu, T.; Nie, Y.; Zhang, L.; Chen, R.; Meng, Y.; Li, X . Dependence of epoxy toughness on the backbone structure of hyperbranched polyether modifiers . RSC Adv. , 2015 . 5 ( 5 ): 3408 - 3416 . DOI: 10.1039/C4RA10974K http://doi.org/10.1039/C4RA10974K .
Komarov, P. V.; Chiu, Y, T, C.; Chen. S. M; Khalatur, P. G.; Reineker, P . Highly cross-linked epoxy resins: an atomistic molecular dynamics simulation combined with a mapping/reverse mapping procedure . Macromolecules , 2007 . 40 ( 22 ): 8104 - 8113 . DOI: 10.1021/ma070702+ http://doi.org/10.1021/ma070702+ .
Tam, L.; Lau, D . A molecular dynamics investigation on the cross-linking and physical properties of epoxy-based materials . RSC Adv. , 2014 . 4 ( 62 ): 33074 - 33081 . DOI: 10.1039/C4RA04298K http://doi.org/10.1039/C4RA04298K .
Soni, N. J. Lin, P. H.; Khare, R . Effect of cross-linker length on the thermal and volumetric properties of cross-linked epoxy networks: A molecular simulation study . Polymer , 2012 . 53 ( 4 ): 1015 - 1019 . DOI: 10.1016/j.polymer.2011.12.051 http://doi.org/10.1016/j.polymer.2011.12.051 .
Li, C.; Strachan, A . Molecular dynamics predictions of thermal and mechanical properties of thermoset polymer EPON862/DETDA . Polymer , 2011 . 52 ( 13 ): 2920 - 2928 . DOI: 10.1016/j.polymer.2011.04.041 http://doi.org/10.1016/j.polymer.2011.04.041 .
Tsige, M.; Stevens, M. J . Effect of cross-linker functionality on the adhesion of highly cross-linked polymer networks: a molecular dynamics study of epoxies . Macromolecules , 2004 . 37 ( 3 ): 630 - 637 . .
Yang, S.; Qu, J . Computing thermomechanical properties of crosslinked epoxy by molecular dynamic simulations . Polymer , 2012 . 53 ( 21 ): 4806 - 4817 . DOI: 10.1016/j.polymer.2012.08.045 http://doi.org/10.1016/j.polymer.2012.08.045 .
Shudo, Y.; Izumi, A.; Hagita, K.; Nakao, T.; Shibayama, M . Structure-mechanical property relationships in crosslinked phenolic resin investigated by molecular dynamics simulation . Polymer , 2017 . 116 506 - 514 . DOI: 10.1016/j.polymer.2017.02.037 http://doi.org/10.1016/j.polymer.2017.02.037 .
Tam, L. H.; Lau, D . Moisture effect on the mechanical and interfacial properties of epoxy-bonded material system: An atomistic and experimental investigation . Polymer , 2015 . 57 132 - 142 . DOI: 10.1016/j.polymer.2014.12.026 http://doi.org/10.1016/j.polymer.2014.12.026 .
Vo, V. S.; Nguyen, V. H.; Mahouche-Chergui, S.; Carbonnier, B.; Tommaso, D. D.; Naili, S . From atomistic structure to thermodynamics and mechanical properties of epoxy/clay nanocomposites: Investigation by molecular dynamics simulations . Comp. Mater. Sci. , 2017 . 139 191 - 201 . DOI: 10.1016/j.commatsci.2017.07.024 http://doi.org/10.1016/j.commatsci.2017.07.024 .
Zhang, Q. G.; Liu, Q. L.; Huang, S. P.; Hu, W. W.; Zhu, A. M . Microstructure-related performances of poly(vinyl alcohol)-silica hybrid membranes: a molecular dynamics simulation study . J. Mater. Chem. , 2012 . 22 ( 21 ): 10860 - 10866 . DOI: 10.1039/c2jm30653k http://doi.org/10.1039/c2jm30653k .
Yu, B.; Fu, S.; Wu, Z.; Bai, H.; Ning, N.; Fu, Q . Molecular dynamics simulations of orientation induced interfacial enhancement between single walled carbon nanotube and aromatic polymers chains . Composites Part A , 2015 . 73 155 - 165 . DOI: 10.1016/j.compositesa.2015.02.027 http://doi.org/10.1016/j.compositesa.2015.02.027 .
Li, K.; Huo, N.; Liu, X.; Cheng, J.; Zhang, J . Effects of the furan ring in epoxy resin on the thermomechanical properties of highly cross-linked epoxy networks: a molecular simulation study . RSC Adv. , 2015 . 6 ( 1 ): 769 - 777 . .
Shokuhfar, A.; Arab, B . The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulation . J. Mol. Model. , 2013 . 19 ( 9 ): 3719 - 3731 . DOI: 10.1007/s00894-013-1906-9 http://doi.org/10.1007/s00894-013-1906-9 .
Jeyranpour, F.; Alahyarizadeh, G.; Arab, B . Comparative investigation of thermal and mechanical properties of cross-linked epoxy polymers with different curing agents by molecular dynamics simulation . J. Mol. Graph. Model. , 2015 . 62 157 - 164 . DOI: 10.1016/j.jmgm.2015.09.012 http://doi.org/10.1016/j.jmgm.2015.09.012 .
Wu, C.; Xu, W. J . Atomistic molecular modelling of crosslinked epoxy resin . Polymer , 2006 . 47 ( 16 ): 6004 - 6009 . DOI: 10.1016/j.polymer.2006.06.025 http://doi.org/10.1016/j.polymer.2006.06.025 .
Arab, B.; Shokouhfar, A . Molecular dynamics simulation of cross-linked urea-formaldehyde polymers for self-healing nanocomposites: prediction of mechanical properties and glass transition temperature . J. Mol. Model. , 2013 . 19 ( 11 ): 5053 - 5062 . DOI: 10.1007/s00894-013-1996-4 http://doi.org/10.1007/s00894-013-1996-4 .
Zhang, W.; Yang, Q.; Zhong, W.; Sui, G.; Yang, X . Mechanism of modulus improvement for epoxy resin matrices: A molecular dynamics simulation . React. Funct. Polym. , 2017 . 111 60 - 67 . DOI: 10.1016/j.reactfunctpolym.2016.12.014 http://doi.org/10.1016/j.reactfunctpolym.2016.12.014 .
Gao, L.; Zhang, Q.; Li, H.; Yu, S.; Zhong, W.; Sui, G.; Yang, X . Effect of epoxy monomer structure on the curing process and thermo-mechanical characteristics of tri-functional epoxy/amine systems: a methodology combining atomistic molecular simulation with experimental analyses . Polym. Chem. , 2017 . 8 2016 - 2027 . DOI: 10.1039/C7PY00063D http://doi.org/10.1039/C7PY00063D .
Shenogina, N. B.; Tsige, M.; Patnaik, S. S.; Mukhopadhyay, S. M . Molecular modeling approach to prediction of thermo-mechanical behavior of thermoset polymer networks . Macromolecules , 2012 . 45 ( 12 ): 5307 - 5315 . DOI: 10.1021/ma3007587 http://doi.org/10.1021/ma3007587 .
Yang, Q.; Yang, X.; Li, X.; Shi, L.; Sui, G . The curing and thermal transition behavior of epoxy resin: a molecular simulation and experimental study . RSC Adv. , 2013 . 3 ( 20 ): 7452 - 7459 . DOI: 10.1039/c3ra40699g http://doi.org/10.1039/c3ra40699g .
Wang Z.; Lv, Q.; Chen, S.; Li, C.; Sun, S.; Hu, S . Effect of interfacial bonding on interphase properties in SiO 2 /epoxy nanocomposite: a molecular dynamics simulation study . ACS Appl. Mater. Interfaces. , 2016 . 8 ( 11 ): 7499 - 7508 . DOI: 10.1021/acsami.5b11810 http://doi.org/10.1021/acsami.5b11810 .
Bhadra, S.; Khastgir, D . Glass-rubber transition temperature of polyaniline: experimental and molecular dynamic simulation . Synth. Met. , 2009 . 159 ( 12 ): 1141 - 1146 . DOI: 10.1016/j.synthmet.2009.01.052 http://doi.org/10.1016/j.synthmet.2009.01.052 .
Yilmaz, C.; Akalin, C.; Kocaman, E. S.; Suleman, A.; Yildiz, M . Monitoring Poisson’s ratio of glass fiber reinforced composites as damage index using biaxial fiber Bragg grating sensors . Polym. Test. , 2016 . 53 98 - 107 . DOI: 10.1016/j.polymertesting.2016.05.009 http://doi.org/10.1016/j.polymertesting.2016.05.009 .
Van Paepegem, W.; De Baere, I.; Lamkanfi, E.; Degrieck, J . Poisson’s ratio as a sensitive indicator of (fatigue) damage in fibre‐reinforced plastics . Fatigue & Fract. Eng. Mater. Struct. , 2007 . 30 ( 4 ): 269 - 276 . .
Luo, Z.; Jiang, J . Molecular dynamics and dissipative particle dynamics simulations for the miscibility of poly(ethylene oxide)/poly(vinyl chloride) blends . Polymer , 2010 . 51 ( 1 ): 291 - 299 . DOI: 10.1016/j.polymer.2009.11.024 http://doi.org/10.1016/j.polymer.2009.11.024 .
Fu, Y.; Liao, L.; Lan, Y.; Yang, L.; Mei, L.; Liu, Y.; Hu, S . Molecular dynamics and mesoscopic dynamics simulations for prediction of miscibility in polypropylene/polyamide-11 blends . J. Mol. Struct. , 2012 . 1012 113 - 118 . DOI: 10.1016/j.molstruc.2011.12.026 http://doi.org/10.1016/j.molstruc.2011.12.026 .
Kim, Y. H.; Webster, O. W . Water soluble hyperbranched polyphenylene: "a unimolecular micelle?" . J. Am. Chem. Soc. , 1990 . 112 ( 11 ): 4592 - 4593 . DOI: 10.1021/ja00167a094 http://doi.org/10.1021/ja00167a094 .
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