Study on the atomic scale of thermal and thermo-oxidative degradation of polylactic acid via reactive molecular dynamics simulation
Chenyang Li, Qiang Liu, Weiguang Gong, Zhou Zhou, Zhongyang Yao, Xin Meng
Topics & Concepts
ReaxFFHomolysisChemistryPolylactic acidBond cleavageRadicalTerephthalic acidDegradation (telecommunications)Molecular dynamicsAlkoxy groupPhotochemistryOrganic chemistryAlkylCatalysisComputational chemistryPolymerPolyesterInteratomic potentialTelecommunicationsComputer sciencebiodegradable polymer synthesis and propertiesPolymer crystallization and propertiesThermal and Kinetic Analysis