MD simulation studies of the physical and mechanical properites of P3HT-based blends-Reference-Cited by-同舟云学术

MD simulation studies of the physical and mechanical properites of P3HT-based blends

Published:2021-01 Issue:1 Volume:99 Page:10-15
ISSN:0008-4204
Container-title:Canadian Journal of Physics
language:en
Short-container-title:Can. J. Phys.

Author:

Bouzid L.¹,Hiadsi S.¹,Bensaid M.O.¹,Haddadi K.²,Belaid L.³,Ghrici Y.F.¹

Affiliation:

1. Laboratory of Electronic Microscopy and Materials Science, Physics Department, Faculty of Science, University of Science and Technology of Oran Mohamed-Boudiaf, BP 1505 El M’Naouar, Bir El Djir 31100, Oran, Algeria.

2. Department of Physics, Faculty of Sciences. Ferhat Abbas Sétif University 1, Sétif 19000, Algeria.

3. Laboratory of Gender Studies and Sociolinguistics, English Departement, Faculty of Forgeign L anguages, Abdelhamid Ibn Badis University, Mostaganem, Algeria.

Abstract

In this research, the physical and mechanical properties of semi-crystalline polymerpoly-(3-hexylthiophene-2,5-diyl)-based blends were investigated. The volume versus temperature curves of polymerpoly-(3-hexylthiophene-2,5-diyl)/methano-fullerene derivative[6]-phenyl-C64-butyricacidmethyl ester (P3HT:PCBM) and polymerpoly-(3-hexylthiophene-2,5-diyl)/DOCN-PPV (P3HT/CNPh-PPV) were plotted; however, we obtained one single temperature for each curve between glass transition temperatures of the compounds, which could be considered a good indicator of miscibility. In addition, the Coesif energy density of P3HT, PCBM, and CNPh-PPV were calculated and used to obtain the solubility parameters δP3HT, δPCBM, and δCNPh-PPV. The interaction parameter χ was calculated and used in the investigation and we confirmed the miscibility of our polymer systems. By using the dissipative particle dynamic method, the morphologies of P3HT/PCBM and P3HT/CNPh-PPV were enhanced.

Publisher

Canadian Science Publishing

Subject

General Physics and Astronomy

Link

https://cdnsciencepub.com/doi/pdf/10.1139/cjp-2018-0870

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