MOLECULAR SIMULATIONS OF INDUSTRIALLY RELEVANT POLYVINYL ACETATE (PVA) BASED COATINGS

Abstract

Polyvinyl acetate (PVA) based coatings find extensive applications in various coating and paint industries globally. Grafting and copolymeriZatiofl of PVA with oleophobic moieties/monomers has resulted in potential coating formulations that possess enhanced stain-resistance. Molecular simulations have been long used to understand the behavior of specialty polymers and their blends. In this work, we employ molecular dynamics simulation to understand the effect of copolymeriZati0fl of fluoro based moieties- Vinylfluoride(VF) and VinylidenediflU0ride('') with PVA on the oleophobic and related performance properties of formulated coatings at various compositions. Material Studio software available from AccelrysTM has been employed for running Molecular Dynamics (MD) simulations to estimate useful properties with widely used force field- It COMPASS. Proper comparisons between the results have been made and finally recommendation is proposed about the advantage of adding selective fluorine based monomers,ofl various performance parameters of coating,on PVA backbone.