Molecular dynamics simulation studies of the miscibility and thermal properties of PMMA/PS polymer blend

• Published in: Chinese journal of physics (Taipei) Vol. 56; no. 6; pp. 3012 - 3019
• Main Authors: Bouzid, L., Hiadsi, S., Bensaid, M.O., Foudad, F.Z.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01-12-2018
• Subjects: Dilatometric; DPD; Miscibility; PMMA; Miscibility; DPD; PS; Tg; PMMA; Dilatometric
• ISSN: 0577-9073
• DOI: 10.1016/j.cjph.2018.09.034

•The solubility parameters of PMMA and PS were calculated in order to obtainχ.•The interaction parameter versus the temperature curve of PMMA/PS was analyzed.•The repulsion parameter aij of PMMA/PS has been calculated.•DPD was used to simulate the morphology of the PMMA/PS polymer blend.
This investigation is an attempt to improve our understanding of the thermal properties of PMMA (Polymethyl methacrylate) by using PS(Polystyrene); the miscibility of PMMA/PS polymer blend is studied. Our work aims to study the impact of the percentage of PMMA/PS polymer blend on the simulated values of the glass transition temperature (Tg) using the dilatometric method. Compass was chosen as the force field (second category force field). The results reveal a single value of the glass transition temperature Tg that is found for all the curves of the PMMA/PS blend system (molar ratio: (50:50, 60:40, 54:46 and 80:20)); this could be a good criterion for predicting the miscibility. Additionally, the solubility parameters of PMMA and PS are calculated and used to obtain the Flory–Huggins parameter, and the morphology of our polymer blend is simulated using the dissipative particle dynamics method (DPD). Our results exhibit an increase in the Tg of PMMA whenever PS is added; hence, we can confirm the miscibility of the PMMA/PS polymer system.