On February 15, 2022, Li, Dongyang; Panchal, Kushal; Vasudevan, Naveen Kumar; Mafi, Roozbeh; Xi, Li published an article.Safety of Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate The title of the article was Effects of molecular design parameters on plasticizer performance in poly(vinyl chloride): A comprehensive molecular simulation study. And the article contained the following:
Plasticizers for poly(vinyl chloride) (PVC), including ortho- and terephthalates, trimellitates, citrates, and various aliphatic dicarboxylates, are systematically studied with all-atom mol. simulation. Effects of plasticizer mol. structure on its performance, as measured by performance metrics including its thermodn. compatibility with PVC, effectiveness of reducing the material’s Young’s modulus, and migration rate in the PVC matrix, are evaluated in the framework of seven mol. design parameters. Previous exptl. findings on the plasticizer structure-performance relationship are also reviewed. Comparison with experiments establishes the reliability of our simulation predictions. The study aims to provide a comprehensive set of guidelines for the selection and design of high-performance plasticizers at the mol. level. Mol. mechanisms for how each design parameter influences plasticizer performance metrics are also discussed. Moreover, we report a nontrivial dependence of plasticizer migration rate on temperature, which reconciles seemingly conflicting exptl. reports on the migration tendency of different plasticizers. The experimental process involved the reaction of Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate(cas: 3319-31-1).Safety of Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
The Article related to plasticizer pvc simulation structure property, Plastics Manufacture and Processing: Formulating Procedures and Compositions and other aspects.Safety of Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
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