Scatchard-Hildebrand热力学模型在PA印刷层迁移预测中的应用

目的探讨Scatchard-Hildebrand热力学模型对塑料印刷层中有害物质迁移分配系数预测的适用性和准确性。方法以聚酰胺(PA)印刷层中5种迁移物为代表,选取相关文献中PA印刷层中有害物质向不同模拟液中迁移的实验测试结果数据,对分配系数实验值Fexp与模型预测计算值Fsim作对比分析,并用实验数据对Scatchard-Hildebrand统计热力学模型进行校正,研究了模型修正系数Ks(Ks=ln(Fsim/Fexp))与迁移物相对分子质量(M)及其醇-水分配系数(log P)以及模拟液极性(Ps)间的关系。结果 PA印刷层中有害物质迁移分配系数的预测模型修正系数Ks与M和Ps间呈现显著的线性关系,得到了修正后的分配系数预测模型。结论修正后的Scatchard-Hildebrand热力学模型对预测塑料PA印刷层中有害物质迁移分配系数具有一定的适用性。

Application of Scatchard-Hildebrand Thermodynamic Model in Predicting Migration of PA Printing Layer

To explore the applicability and accuracy of the Scatchard-Hildebrand thermodynamic model in predicting the partition coefficient of compounds in printing lay of plastic migrant to food, the related literatures were collected, represented by five kinds of migrants in printing layer of Polyamide (PA), the experimental test data of harmful chemicals in printing layer of PA migrant to different food simulations were selected. Then the experimental partition coefficient value Fexp and the predict one Fsim by the model were comparatively analyzed. And the Scatchard-Hildebrand thermodynamic model was corrected with experimental values. The correlations between the correction coefficient Ks (Ks=ln(Fsim/Fexp)) and migration molecular weight(M), migration alcohol/water partition coefficient(log P) and simulation liquid polarity (Ps) were investigated. The results showed that significant linear correlations were found between the correction coefficient Ks of the partition coefficient predictive model of chemicals in printing layer of PA migrant to food simulations and M and Ps. And the corrected Scatchard-Hildebrand thermodynamic model was set up. To some extent, the corrected Scatchard-Hildebrand thermodynamic model could predict the partition coefficient of harmful compounds in printing layer of PA migrant to food simulations.