PREDICTIVE MODELS OF SOLVENT PERMEATION THROUGH CPC

描述（改编自研究者摘要）：渗透和 将对四种类型的商业聚合物 化学防护服（CPC）材料受到几种 14种化学类别中的每一种的有机溶剂。 二元混合物将 检查这些溶剂的代表性子集。 实验 结果将用于开发和验证预测模型的 平衡溶解度、扩散系数和渗透速率 每种CPC材料的溶剂。需要解决的关键问题 溶剂结构、CPC-聚合物结构和 交联，温度，以及共- 溶剂. 溶解度预测模型将基于1）三个- 三维溶解度参数和2）溶致变色指数 结合线性溶剂化自由能关系。 模型 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Fickian模型，以获得定量预测 溶剂穿透时间和稳态渗透速率。

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.