Calorimetric analysis and molecular dynamics simulation of cure kinetics of epoxy/chitosan-modified Fe3O4 nanocomposites

被引：58

作者：

Saeb, Mohammad Reza ^{[1
]}

Nonahal, Milad ^{[2
]}

Rastin, Hadi ^{[2
]}

Shabanian, Meisam ^{[3
]}

Ghaffati, Mehdi ^{[4
]}

Bahlakeh, Ghasem ^{[5
]}

Ghiyasi, Samira ^{[6
]}

Khonakdar, Hossein Ali ^{[7
,8
]}

Goodarzi, Vahabodin ^{[9
]}

Vijayan, Poornima P. ^{[10
]}

Puglia, Debora ^{[11
]}

机构：

[1] Inst Color Sci & Technol, Dept Resin & Addit, POB 16765-654, Tehran, Iran

[2] Univ Tehran, Coll Engn, Sch Chem Engn, POB 11155-4563, Tehran, Iran

[3] Stand Res Inst, Fac Chem & Petrochem Engn, POB 31745-139, Karaj, Iran

[4] Golestan Univ, Dept Polymer, POB 155, Gorgon, Golestan, Iran

[5] Golestan Univ, Dept Engn & Technol, Aliabad Katool, Iran

[6] Islamic Azad Univ, Cent Tehran Branch, Dept Environm Engn, Tehran, Iran

[7] Leibniz Inst Polymer Res Dresden, Hohe Str 6, D-01069 Dresden, Germany

[8] Islamic Azad Univ, South Tehran Branch, Fac Engn, Dept Polymer Engn, POB 19585-466, Tehran, Iran

[9] Baqiyatallah Univ Med Sci, Appl Biotechnol Res Ctr, POB 19945-546, Tehran, Iran

[10] Qatar Univ, Ctr Adv Mat, POB 2713, Doha, Qatar

[11] Univ Perugia, Dept Civil & Environm Engn, Str Pentima 4, I-05100 Terni, Italy

来源：

PROGRESS IN ORGANIC COATINGS | 2017年 / 112卷

关键词：

Cure kinetics; Epoxy; Magnetic nanoparticles; Chitosan; Molecular dynamics simulation; IRON-OXIDE NANOPARTICLES; FE3O4-CHITOSAN NANOPARTICLES; EPOXY/MWCNTS NANOCOMPOSITES; MAGNETITE NANOPARTICLES; MECHANICAL-PROPERTIES; SURFACE-MORPHOLOGY; FORCE-FIELD; EPOXY; CHITOSAN; DENSITY;

D O I：

10.1016/j.porgcoat.2017.07.015

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Fe3O4 magnetic nanoparticles (MNPs) were synthesized and modified with chitosan as a natural surface modifier to prevent their aggregation and make them potent to contribute to ring opening of epoxy. Functionalized Fe3O4 (Chitosan@Fe(3)O(4)4) was characterized by Fourier transform infrared, thermogravimetric analysis, transmission electron microscope and magnetic hysteresis loops measurements. The cure behavior and kinetics of epoxy nanocomposites filled with bare and chitosan-modified Fe3O4 were analyzed using isothermal and non isothermal differential scanning calorimetry (DSC). The kinetic models applied to DSC experimental data suggested positive effect of Chitosan@Fe3O4 MNPs on cure reaction between epoxy and polyamidoamine hardener. Experimental and modeling outcomes from epoxy/Chitosan@Fe3O4 nanocomposites were supported by theoretical quantum chemical calculations and molecular dynamics simulations. Computational studies demonstrated that curing of epoxy resin with aminoamide hardener has been governed by the interaction between epoxy and Chitosan@Fe3O4.

引用

页码：176 / 186

页数：11

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