影响Scathard-Hildebrand统计热力学理论预测抗氧化剂从聚丙烯中迁移量因素

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英文篇名：Factors that influence the prediction of antioxidant migration from PP by Scathard-Hildebrand statistical thermodynamic theory 作者：宁慧男 ; 张钦发 ; 刘悦悦 ; 莫宜澄 英文作者：NING Huinan;ZHANG Qinfa;LIU Yueyue;MO Yicheng;College of Food Science, South China Agricultural University; 关键词：迁移分配系数 ; 聚丙烯 ; 溶解度参数 ; Scatchard-Hilderbrand热力学 英文关键词：migration distribution coefficient;;polypropylene;;solubility parameters;;scatchard-Hilderbrand thermodynamics 中文刊名：SSPJ 英文刊名：Food Science and Technology 机构：华南农业大学食品学院; 出版日期：2019-01-20 出版单位：食品科技 年：2019 期：v.44;No.327 基金：广东省质量技术监督局计划项目(2016ZZ05) 语种：中文; 页：SSPJ201901063 页数：6 CN：01 ISSN：11-3511/TS 分类号：354-359

摘要

Scatchard-Hildebrand理论是一个计算混合体系内分子间作用能(体系的位能)统计热力学理论公式,采用统计热力学理论,可从微观分子结构分析混合体系内的迁移。通过测定4种不同种类抗氧化剂从各种比表面积的聚丙烯塑料中向乙醇等6种不同溶解度参数的模拟液中迁移的分配系数,并将实验值与Scatchard-Hildebrand理论计算值进行比较,研究影响理论迁移量和实际迁移量出现差异的因素。研究结果表明,迁移阻力是出现差异的主要因素,影响迁移阻力大小的因素有塑料的比表面积、模拟液的溶解度参数和温度,当比表面积无穷大、模拟液溶解度参数越接近聚丙烯的溶解度参数、温度越高时实验值与Scatchard-Hilderbrand热力学理论计算值越接近。
        The Scatchard-Hildebrand theory was a formula for calculating the intermolecular interaction energy(potential energy of the system) in a mixed system. Using the statistical thermodynamic theory, the migration in the mixed system can be analyzed from the microscopic molecular structure. In this paper, the partition coefficients of four kinds of antioxidants migrating from polypropylene(PP) plastics with different specific surface areas to six simulated solutions with different solubility parameters, such as ethanol, were determined, and the experimental values were compared with those calculated by ScatchardHildebrand theory. Study on the factors influencing the difference between theoretical and actual migration, The results show that the migration resistance is the main factor of the difference. The factors influencing the migration resistance are the specific surface area of plastics, the solubility parameter and temperature of the simulated liquid. When the specific surface area was infinite, the solubility parameter of the simulated liquid was closer to the solubility parameter of polypropylene, and the higher the temperature was, the closer the experimental value is to the calculated value of scatchard-hilderbrand thermodynamics theory.

引文

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