Prediction of solvent diffusion coefficient in amorphous polymers based on an equation‐of‐state
Prediction of solvent diffusion coefficient in amorphous polymers based on an equation‐of‐state
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DOI：
10.1002/polb.20750
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发表时间：
2006-03
期刊：
影响因子：
--
通讯作者：
H. Lv;Bao‐guo Wang
中科院分区：
文献类型：
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作者：
H. Lv;Bao‐guo Wang
本研究将Vrentas-Duda模型与S-S状态方程相结合，发展了一个修正的自由体积模型来预测溶剂在无定形聚合物中的扩散系数，所有原始参数均可用于修正的模型。根据S-S状态方程和Williams-Landel-Ferry分数自由体积来估算聚合物的自由体积，避免了在Vrentas-Duda模型中确定聚合物自由体积参数和测量聚合物粘弹性的复杂过程。此外，修正后的模型不仅考虑了温度的影响，还考虑了压力对溶剂扩散系数的影响。用三种常见的聚合物和四种溶剂验证了修正模型的预测。计算结果与实验值基本吻合。有理由预计，修正后的自由体积模型将成为聚合物工艺开发的有用工具。#2006威利期刊公司，J Polym Sci第B部分：Polym Phys 44：1000-1009,2006
This study develops a modified free-volume model to predict solvent diffusion coefficients in amorphous polymers by combining the Vrentas–Duda model with the Simha–Somcynsky (S-S) equation-of-state (EOS), and all the original parameters can be used in the modified model. The free volume of the polymer is estimated from the S-S EOS together with the Williams-Landel-Ferry fractional free volume, and the complex process of determining polymer free-volume parameters in the Vrentas–Duda model and measuring polymer viscoelasticity can be avoided. Moreover, the modified model includes the influence of not only temperature but also pressure on solvent diffusivity. Three common polymers and four solvents are employed to demonstrate the predictions of the modified model. The calculation results are generally consistent with the experimental values. It is reasonable to expect that the modified free-volume model will become a useful tool in polymer process development. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1000–1009, 2006