Comparative investigation of thermal and mechanical properties of cross-linked epoxy polymers with different curing agents by molecular dynamics simulation

Jeyranpour, F.; Alahyarizadeh, Gh.; Arab, Behrouz

doi:10.1016/j.jmgm.2015.09.012

Cited by 111 publications

(56 citation statements)

References 19 publications

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“…Figure 4, Figure 5 and Figure 6 show the elastic modulus ( E ), shear modulus ( G ), and volume modulus ( K ) of the five statistical models at different temperatures. The mechanical properties of several models fluctuated with the rise in temperature, which was consistent with previous reports [20]. Meanwhile, the elastic modulus, shear modulus, and volume modulus of the five models all decreased gradually with the increase in temperature.…”

Section: Resultssupporting

confidence: 90%

“…In general, the stress-strain behavior in linear-elastic materials [20] of solid materials can be obtained by Hooke’s law, which is expressed as follows:

σ_{i} = C_{i j} ε_{j}

…”

Section: Resultsmentioning

confidence: 99%

“…In general, the transition state between the glass state and the high elastic state is called the glass transition, and the corresponding temperature at the time of the transition is called the glass transition temperature. The glass transition temperature can be obtained by linear fitting of density and temperature [20,31]. Likewise, T g can also be obtained by fitting curves of free volume and temperature [32].…”

Section: Resultsmentioning

confidence: 99%

“…The cross-linking reaction was performed between the R1 carbon atoms on the pre-labeled epoxy resin of DGEBA molecules, and the R2 nitrogen atoms labeled on the curing agent BD molecules. It is presupposed that the degree of crosslinking is 100%, but in general, the final result is less than 100% [15,20]. …”

Section: Methodsmentioning

confidence: 99%

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Effect of Aminosilane Coupling Agents with Different Chain Lengths on Thermo-Mechanical Properties of Cross-Linked Epoxy Resin

Tang

2018

Nanomaterials

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In this paper, a molecular dynamics simulation method was used to study the thermo-mechanical properties of cross-linked epoxy resins doped with nano silica particles that were grafted with 3-aminopropyltriethoxysilane, N-(2-aminoethyl)-3-aminopropyltrimethoxysilane, and 3-[2-(2-aminoethylamino)ethylamino]-propyl-trimethoxysilane with different chain lengths. Firstly, a set of pure epoxy resin models, and four sets of SiO2/EP composite models were established. Then, a reasonable structure was obtained through a series of optimizations using molecular dynamics calculations. Next, the mechanical properties, hydrogen bond statistics, glass transition temperature, free volume fraction, and chain spacing of the five models were studied comparatively. The results show that doped nano silica particles of surfaces grafted with 3-aminopropyltriethoxysilane, N-(2-aminoethyl)-3-aminopropyltrimethoxysilane, and 3-[2-(2-aminoethylamino)ethylamino]-propyl-trimethoxysilane with different chain lengths enhanced mechanical properties such as elastic modulus, shear modulus, and volume modulus obviously. The glass transition temperature increased by 15–16 K, 40–41 K, and 24–27 K, respectively. Finally, the data show that the cross-linked epoxy resin modified by nanoparticles grafted with N-(2-aminoethyl)-3-aminopropyl trimethoxysilane had better effects for improving thermo-mechanical properties by the comparatively studying the five groups of parameter models under the same conditions.

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Section: Resultssupporting

confidence: 90%

“…In general, the stress-strain behavior in linear-elastic materials [20] of solid materials can be obtained by Hooke’s law, which is expressed as follows:

σ_{i} = C_{i j} ε_{j}

…”

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

See 2 more Smart Citations

Effect of Aminosilane Coupling Agents with Different Chain Lengths on Thermo-Mechanical Properties of Cross-Linked Epoxy Resin

Tang

2018

Nanomaterials

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“…In Table , it can be seen that the T g tendency is to decrease, due to the increasing concentration of Thiol‐Ene system; this is possibly because the amount of soft phase increases, causing in the chemical structure of the polymer to be sensitive to lower temperatures. The higher T g 's can be associated to the epoxy polymers segments present in all the crosslink network . A decrease in the T g is associated with thiol‐ene networks, in which the T g 's of the synthetized polymers are limited by the soft segments present in the network which provide the flexibility of the hybrid polymer …”

Section: Resultsmentioning

confidence: 99%

Preparation and Study of Shape Memory in Epoxy Resins

Duarte

Guevara

Medina

2017

Macromolecular Symposia

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Shape memory polymers (SMPs) are stimuli‐response materials known for their ability to be actuated from temporary shape into original shape. Because of this unique functionality SMPs are promising materials for diverse applications fields, including smart biomedical devices, aviation, automobile, structures or coatings. In this article, the work has been focused on the chemical modification of an epoxy monomer Bisphenol A diglycidyl ether (DGEBA) which was carried out by using allyl amines as curing agents and a thiol. When both systems Epoxy‐Amine/Tiol‐Ene were photopolymerized, a soft phase is introduced through a thiol‐ene system and a rigid phase is given by the polymerization of the epoxy polymer when it reacts with the curing agent allyl amine. One of the main requirements in SMPs is the presence of soft and rigid phases. The study of the effect of the concentration of three different curing agents, allyl amine type, over the capacity of the conformed polymers to return to their original shape was evaluated. DMA analysis was used to determine the Tg in the polymers, once obtained, the polymers were treated on a hot water bath above 10 °C their Tg, then the evaluation of the memory shape was carried out by two tests, bending and torsion. SMPs were obtained and specimens with 20% of concentration of allyl amine as curing agent showed an improvement in their ability of memory shape with a 99% of recovery.

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A novel flame retardant UV‐curable vinyl ester resin monomer based on industrial dipentene: Preparation, characterization, and properties

Mao

et al. 2016

J of Applied Polymer Sci

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A novel bio-based and flame-retardant UV-curable vinyl ester resin (VER) monomer named Diglycidyl ester of maleinized dipentene modified with dibutyphosphate and methacrylic anhydride (MDDMD) was synthesized from industrial dipentene via Diels-Alder reaction, glycidylation, epoxy ring-opening reaction, and esterification. Its chemical structures were characterized by Fourier transform infrared (FTIR) analysis and proton nuclear magnetic resonance ( 1 H-NMR). In order to improve its flexibility, we prepared a series of copolymers under UV light radiation by mixing it with certain proportions of poly(ethylene glycol) dimethacrylate-200 (PEGDMA-200) which contained flexible groups. Their tensile property, curing degrees (CD), hardness, limiting oxygen index (LOI), dynamic mechanical thermal properties, and thermostability were all investigated. The cured mixed resins have a relatively high tensile strength of 10.05 MPa and curing degrees up to 92.5%. Both hardness (range: 50 to 23 HD) and LOI (range: 22.8% to 24.4%) of cured resins are improved with the increase of MDDMD content. Dynamic mechanical analysis (DMA) shows that their glass transition temperatures rise with the increase of MDDMD content. Thermogravimetric analysis (TGA) shows that the thermal stability of cured resins is enhanced with the increase of PEGDMA-200 content, as the main thermal initial decomposition temperatures are all above 260 8C and char yield at 800 8C are above 18.10%. V C 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, , 44084.

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Comparative investigation of thermal and mechanical properties of cross-linked epoxy polymers with different curing agents by molecular dynamics simulation

Cited by 111 publications

References 19 publications

Effect of Aminosilane Coupling Agents with Different Chain Lengths on Thermo-Mechanical Properties of Cross-Linked Epoxy Resin

Effect of Aminosilane Coupling Agents with Different Chain Lengths on Thermo-Mechanical Properties of Cross-Linked Epoxy Resin

Preparation and Study of Shape Memory in Epoxy Resins

A novel flame retardant UV‐curable vinyl ester resin monomer based on industrial dipentene: Preparation, characterization, and properties

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