PREDICTIVE MODELS OF SOLVENT PERMEATION THROUGH CPC

描述（改编自研究者的摘要）：渗透和 将对四种类型的商业聚合物进行浸没测试 化学防护服（CPC）材料面临多项挑战 14 种化学类别中每一类的有机溶剂。 二元混合物将 检查这些溶剂的代表性子集。 实验性的 结果将用于开发和验证预测模型 平衡溶解度、扩散系数和渗透率 每种 CPC 材料的溶剂。需要解决的关键问题 是溶剂结构、CPC-聚合物结构和的影响 交联、温度以及共聚的性质和浓度 溶剂。 溶解度预测模型将基于 1) 三- 尺寸溶解度参数和 2) 溶剂化显色指数 与线性溶剂化自由能关系相结合。 型号： 预测扩散系数将基于经验相关性 测量值与物理特性和 CPC 相互作用 溶剂的强度。 溶解度和扩散系数值 将用于菲克模型以获得定量预测 溶剂突破时间和稳态渗透率。

DESCRIPTION (Adapted from the investigator's abstract): Permeation and immersion testing will be performed on four types of commercial polymeric chemical protective clothing (CPC) materials challenged with several organic solvents from each of 14 chemical classes. Binary mixtures will be examined for a representative subset of these solvents. Experimental results will be used to develop and validate predictive models of the equilibrium solubilities, diffusion coefficients and permeation rates of the solvents for each type of CPC material. Key issues to be addressed are the influences of solvent structure, CPC-polymer structure and crosslinking, temperature, and the nature and concentration of co- solvents. Solubility prediction models will be based on 1) three- dimensional solubility parameters and 2) solvatochromic indices in conjunction with linear solvation free-energy relationships. Models for predicting diffusion coefficients will be based on empirical correlations of measured values with the physical properties and CPC-interaction strengths of the solvents. Solubility and diffusion coefficient values will be used in Fickian models to obtain quantitative predictions of solvent breakthrough times and steady-state permeation rates.