DOI: 10.5176/2251-1857_M318.35
Authors: Sushanta K Sethi, Lokesh Soni, Gaurav Manik
Abstract: This research employs the molecular simulation approach for understanding the blend compatibility of Poly (vinyl acetate) (PVAc) and poly (dimethylsiloxane) (PDMS). PVAc is widely being used in coatings as well as gluing industry, and likewise, PDMS is also being used in self-cleaning coatings. Hence, realizing their importance, it is significant to investigate their compatibility. In this investigation, different structures of varying weight % of PVAc in PDMS were simulated, and their compatibility was studied. Therefore, Flory-Huggins interaction parameter was estimated and mesoscale DPD and Mesodyn simulation study done to investigate their compatibility. Results of density and solubility parameter study for pristine polymers showed good agreements with previously reported results. Computed free energy and order parameters of different blend systems from the Mesodyn simulation reached equilibrium particularly when the simulation was undergone for higher simulation time steps. It has been found that while Flory-Huggins interaction study predicts PVAc miscibility in PDMS up to 30 wt. %, the mesoscale study showed miscibility of 10 wt.% blend composition, partial miscibility of 20 wt.% and complete immiscibility beyond this.
Keywords: PDMS; PVAc; Flory-Huggins interaction parameter; Mesodyn; DPD.
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