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Analysis of phthalate plasticizer migration from PVDC packaging materials to food simulants using molecular dynamics simulations and artificial neural network.

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第一作者： Xiujuan,Wang

第一单位： Key Laboratory of Rubber-Plastics, Ministry of Education/Shandong Provincial Key Laboratory of Rubber-plastics, Qingdao University of Science & Technology, Qingdao 266042, PR China. Electronic address: wangxj@qust.edu.cn.

作者： Xiujuan,Wang ^[1] ; Meng,Song ^[2] ; Suting,Liu ^[3] ; Sizhu,Wu ^[4] ; Aung Myat,Thu ^[5]

作者单位： Key Laboratory of Rubber-Plastics, Ministry of Education/Shandong Provincial Key Laboratory of Rubber-plastics, Qingdao University of Science & Technology, Qingdao 266042, PR China. Electronic address: wangxj@qust.edu.cn. ^[1] School of Materials and Chemical Engineering, Zhongyuan University of Technology, Zhengzhou 450007, PR China. ^[2] Department of Chemical Engineering, Weifang Vocational College, Weifang 262737, PR China. ^[3] State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, PR China. ^[4] Key Laboratory of Rubber-Plastics, Ministry of Education/Shandong Provincial Key Laboratory of Rubber-plastics, Qingdao University of Science & Technology, Qingdao 266042, PR China. ^[5]

关键词 Artificial neural network Fractional free volume Migration Molecular dynamics PVDC Plasticizer Two-component solubility parameters