Solvation of poly(methyl acrylate) and poly(vinyl acetate) by CO2 studied via atomistic Monte Carlo simulation techniques

Sabine Beuermann, Michael Buback, Marco Drache, Dorit Nelke, Gudrun Schmidt-Naake
2004 E-Polymers  
AbstractThe differences in solubility of poly(vinyl acetate) (PVAc) and poly(methyl acrylate) (PMA) were addressed by applying atomistic Monte Carlo simulation techniques. Polymer segments consisting of nine monomer units serve as model compounds for polymer chains. As a measure of intermolecular interactions with the solvent environment, cohesion energies of the polymer segments embedded in either the corresponding monomer or in CO
doi:10.1515/epoly.2004.4.1.13 fatcat:2zkikbi5vzecjk5vkh67ii5xci