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ISSN Print: 2150-766X
ISSN Online: 2150-7678
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MOLECULAR DYNAMICS SIMULATIONS OF THE MISCIBILITY AND GLASS TRANSITION TEMPERATURE OF POLYMETHYL METHACRYLATE/ACETYL TRIBUTYL CITRATE BINARY SYSTEMS
ABSTRACT
To assess the employment of the environmentally friendly plasticizer acetyl tributyl citrate (ATBC) in polymethyl methacrylate (PMMA)-based composites, the miscibility and glass transition temperature (Tg) of PMMA/ATBC blends with ATBC mass percentages of 0%, 30%, and 50% are explored by molecular dynamics simulations. The binding energy distribution and solubility parameter results suggest miscibility between PMMA and ATBC. Analysis of the radial distribution functions indicates that PMMA/ATBC blends are more miscible when the PMMA content is higher. The Tg of PMMA decreases with the addition of ABTC. The simulated Tg values of PMMA and the PMMA/ATBC blends are consistent with experimental results. Our study confirms the significant potential of ATBC in plasticizing PMMA.
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