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Comprehensive investigations of interaction properties of polylactic Acid-Attapulgite composite by reactive molecular dynamics simulations and dispersion corrected DFT calculations

Li, LZ

Li, LZ (corresponding author), Hanshan Normal Univ, Sch Chem & Environm Engn, Chaozhou, Peoples R China.

CURRENT APPLIED PHYSICS, 2021; 28 (): 78

Abstract

We have evaluated the interactive nature of attapulgite (ATB) and PLA (Poly (lactic acid)) by dispersion corrected density functional theory (DFT-D2) ......

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