Abstract:
The objective of this study was to predict the partition coefficient of compounds in PE plastic migrant to food more accurately. A large number of literatures and the experimental test data of harmful chemicals in PE migrant to different food simulations were collected. Then the experimental partition coefficient value F
exp and the predicted one F
sim were contrasted and analyzed. And the Scatchard- Hildebrand thermodynamic model was corrected with experimental value. The correlations between the correction coefficient Ks( Ks = ln( F
sim/ F
exp)) and temperature( T),migration molecular weight( M),migration alcohol / water partition coefficient( log P) and simulation liquid polarity( ln Ps) were investigated. Results showed that,in addition to the individual compound with special molecular structure,significant linear correlations were found between the correction coefficient Ks of partition coefficient predictive model of chemicals in PE migrant to fat food simulations and M,log P and ln Ps. Finally,the corrected Scatchard- Hildebrand thermodynamic model F'
sim= exp( V
迁移物/ RT·φ
模拟液~2(δ
迁移物-δ
模拟液)~2-φ
聚合物~2(δ
迁移物-δ
聚合物)~2-7.289-0.021M-1.317 ln Ps + 0.901 log P) was set up.To some extent,it could predict partition coefficient of compounds in PE plastic migrant to fat food simulations.