Application of predicting migration partition coefficient of harmful migrants in PE by Scatchard- Hildebrand thermodynamic modeling

LI Min- wen; XIAO Shao-jun; ZHANG Qin-fa; XIANG Hong

doi:10.13386/j.issn1002-0306.2016.05.009

Article Contents

Article Navigation > Science and Technology of Food Industry > 2016 > (05): 86-90

LI Min- wen, XIAO Shao-jun, ZHANG Qin-fa, XIANG Hong. Application of predicting migration partition coefficient of harmful migrants in PE by Scatchard- Hildebrand thermodynamic modeling[J]. Science and Technology of Food Industry, 2016, (05): 86-90. doi: 10.13386/j.issn1002-0306.2016.05.009

Citation:

LI Min- wen, XIAO Shao-jun, ZHANG Qin-fa, XIANG Hong. Application of predicting migration partition coefficient of harmful migrants in PE by Scatchard- Hildebrand thermodynamic modeling[J]. Science and Technology of Food Industry, 2016, (05): 86-90. doi: 10.13386/j.issn1002-0306.2016.05.009

Citation:

LI Min- wen, XIAO Shao-jun, ZHANG Qin-fa, XIANG Hong. Application of predicting migration partition coefficient of harmful migrants in PE by Scatchard- Hildebrand thermodynamic modeling[J]. Science and Technology of Food Industry, 2016, (05): 86-90. doi: 10.13386/j.issn1002-0306.2016.05.009

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Application of predicting migration partition coefficient of harmful migrants in PE by Scatchard- Hildebrand thermodynamic modeling

doi: 10.13386/j.issn1002-0306.2016.05.009

Infinitus( China) Co.,LTD
Food Science College of South China Agricultural University

Received Date: 2015-07-13

Abstract

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.
- Scatchard-Hildebrand thermodynamic model,
- polyethylene,
- partition coefficient,
- predict

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References(19)

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