Computer simulation of thermoplastic elastomers from rubber-plastic blends and comparison with experiments

Saha, Subhabrata; Bhowmick, Anil K.

doi:10.1016/j.polymer.2016.09.065

Cited by 27 publications

(26 citation statements)

References 38 publications

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“…Therefore, using atomistic simulations to evaluate miscibility and the dominant physical mechanisms has attracted a continuing attention of researchers. [32][33][34][35][36][37][38][39][40][41][42][43] MD simulations have been used to study the glass transition to predict miscibility of blended polymers. 33,[35][36][37] It has been established that interchain pair correlation functions may reflect structural properties of samples which can directly be related to miscibility.…”

Section: Figurementioning

confidence: 99%

“…[32][33][34][35][36][37][38][39][40][41][42][43] MD simulations have been used to study the glass transition to predict miscibility of blended polymers. 33,[35][36][37] It has been established that interchain pair correlation functions may reflect structural properties of samples which can directly be related to miscibility. 32,34,35,38,39,42 In addition, the Flory-Huggins theory has been applied to shed light on the possibility for some polymers to be miscible.…”

Section: Figurementioning

confidence: 99%

“…[32][33][34][35][36][37][38][39][40][41][42][43] Our previous study 45 has shown that the simulation times required for a proper equilibration of polymer samples can reach microseconds.…”

Section: Figurementioning

confidence: 99%

“…This contradicts the previous simulations which reported that MD method can be used to judge miscibility on the basis of the Flory-Huggins parameter. [32][33][34][35][36][37][38][39][40][41] The methodological result of this study is that the solubility parameter can be used for studying miscibility of polymers by atomistic MD simulations in system such as the current one.…”

Section: Visual Analysismentioning

confidence: 99%

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Scale-Dependent Miscibility of Polylactide and Polyhydroxybutyrate: Molecular Dynamics Simulations

et al. 2017

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Miscibility of polylactide (PLA) and polyhydroxybutyrate (PHB) is studied by the microsecond atomistic molecular-dynamics (MD) simulations for the first time. The model and the simulation protocol were confirmed through comparison of the glass transition temperature (T g ) with experimental data. It was established that PLA and PHB are miscible on the basis of the 2 Flory-Huggins theory. Analysis of the mobilities of PLA and PHB subchains revealed that the blends have two transitions to a glassy state at the length scale of a few Kuhn segments, which is in line with the predictions of the self-concentration model. At the same time at the larger length scale, a single transition to a glassy state was observed suggesting scale-dependence of PLA and PHB miscibility. This scale-dependence was confirmed through the evaluation of the interchain pair correlation functions.

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Section: Figurementioning

confidence: 99%

Section: Figurementioning

confidence: 99%

“…[32][33][34][35][36][37][38][39][40][41][42][43] Our previous study 45 has shown that the simulation times required for a proper equilibration of polymer samples can reach microseconds.…”

Section: Figurementioning

confidence: 99%

Section: Visual Analysismentioning

confidence: 99%

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Scale-Dependent Miscibility of Polylactide and Polyhydroxybutyrate: Molecular Dynamics Simulations

et al. 2017

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“…Li et al discussed the PVDF/acrylate polymer blends which were again miscible in nature . PVDF/HNBR blend which is thermoplastic elastomeric in nature at ambient temperature, on the other hand, was not miscible but it showed a very high elongation at break . In the present work, we have examined the effect of HNBR chains on the crystal structure of PVDF in PVDF/HNBR blends and also observed the effect of crosslinking, which was not studied before.…”

Section: Introductionmentioning

confidence: 75%

Microstructure and relaxation behavior of flexible dielectric PVDF and HNBR blends: An assessment through small‐angle x‐ray scattering and dielectric relaxation spectroscopy

Saha

Bhowmick

2019

J Polym Sci B Polym Phys

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The work demonstrated the microstructure and the relaxation behavior of flexible electroactive blends of poly(vinylidene fluoride) (PVDF)/hydrogenated nitrile rubber (HNBR) by small‐angle X‐ray scattering and dielectric relaxation spectroscopy. Very few studies have been done so far on this topic for crystalline/rubbery blends. Lamellar morphology was observed for both the PVDF and its blends. HNBR suppressed the mobility of PVDF above its melting temperature, as evident from lowering of crystallization temperature, due to physical interaction. The interaction was increased with HNBR content. However, after complete crystallization, HNBR segments were expelled out from the lamella, and crystal long period remained intact in all the blends. Interestingly, some HNBR segments remained in the amorphous part of PVDF which reduced the electron density contrast of its crystalline and amorphous region. When HNBR was crosslinked, the interaction was reduced, and consequently, the crystallization became faster and electron density contrast increased. From the microscopic study, polydispersed particles were observed within the crystalline lamella. Interfacial polarization (IP) relaxation of PVDF was absent in the blends due to physical interaction, whereas IP relaxation of HNBR shifted to a higher frequency. The shift was higher at higher HNBR content and decreased when HNBR was crosslinked. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019, 57, 851–866

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Design and properties of a series of high‐temperature thermoplastic elastomeric blends from polyamides and functionalized rubbers

Sarma

Padmanathan

Saha

et al. 2017

J of Applied Polymer Sci

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A series of high-temperature thermoplastic elastomers (TPEs) and thermoplastic vulcanisates (TPVs) were successfully developed based on two different types of heat resistant polyamide (PA) (25 parts by weight)-PA-12 and PA-6, in combination with three different functionalized rubbers (75 parts by weight) of varying polarity, e.g., maleic anhydride grafted ethylene propylene diene terpolymer (MA-g-EPDM), sulphonated ethylene propylene diene terpolymer, and carboxylated acrylonitrile butadiene rubber, by melt mixing method. These rubbers have low level of unsaturation in its backbone, and the plastics showed high melting range. Thus, the developed TPEs and TPVs were expected to be high temperature resistant. Resol type resin was used for dynamic vulcanization to further increase the high temperature properties of these blends. Interestingly, initial degradation temperature of the prepared blends was much higher (421 8C for MA-g-EPDM/PA-12) than the other reported conventional TPEs and TPVs. Fourier transform infrared analysis described the interactive nature of the TPEs and TPVs, which is responsible for their superior properties. The maximum tensile strength with lowest tension set was observed for the carboxylated acrylonitrile butadiene rubber/PA-12 TPV. Mild increase in mechanical properties without any degradation was observed after recycling. Dynamic mechanical analysis results showed two distinct glass transition temperatures and indicated the biphasic morphology of the blends, as evident from the scanning electron microscopy.

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Computer simulation of thermoplastic elastomers from rubber-plastic blends and comparison with experiments

Cited by 27 publications

References 38 publications

Scale-Dependent Miscibility of Polylactide and Polyhydroxybutyrate: Molecular Dynamics Simulations

Scale-Dependent Miscibility of Polylactide and Polyhydroxybutyrate: Molecular Dynamics Simulations

Microstructure and relaxation behavior of flexible dielectric PVDF and HNBR blends: An assessment through small‐angle x‐ray scattering and dielectric relaxation spectroscopy

Design and properties of a series of high‐temperature thermoplastic elastomeric blends from polyamides and functionalized rubbers

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