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.
