Evaluation of the Group Contribution Activity Coefficient Models for the Calculation of the Thermodynamic Factor Relating to Self- and Mutual-Diffusion Coefficients in Polymer Solutions
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概要
- 論文の詳細を見る
Three representative group contribution activity coefficient models, UNIFAC-FV, Entropic-FV and UNIFAC-r, were evaluated and compared for the prediction of the thermodynamic factor relating to the self- and the mutual-diffusion coefficients in polymer solutions using the experimental data of 40 polymer solution systems with 438 data points. The calculated results show that the three models have similar accuracy. The average absolute deviation (AAD) is around 20% for most systems, and the deviation is rather large for some systems. This work shows a potential problem in the calculation of a mutual-diffusion coefficient from the self-diffusion coefficient, that is, large uncertainty caused by the calculation of the thermodynamic factor with an existing activity coefficient model may affect significantly the predictive accuracy of the mutual diffusion coefficient even the self-diffusion coefficient model used is very accurate.
- 社団法人 化学工学会の論文
- 2001-12-01
著者
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Qu Yixin
Department Of Chemical Engineering Beijing University Of Chemical Technology
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Zhong C
Department Of Chemical Engineering Beijing University Of Chemical Technology
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Zhong Chongli
Department Of Chemical Engineering Po Box 100 Beijing University Of Chemical Technology
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HE Jingtao
Department of Chemical Engineering, Beijing University of Chemical Technology
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He Jingtao
Department Of Chemical Engineering Beijing University Of Chemical Technology
関連論文
- A Modified Vrentas-Duda Model for the Correlation of the Solvent Self-Diffusion Coefficients in Polymer Solutions
- Evaluation of the Group Contribution Activity Coefficient Models for the Calculation of the Thermodynamic Factor Relating to Self- and Mutual-Diffusion Coefficients in Polymer Solutions
- Modeling of the Heat Capacity of Polymers with the Variable Connectivity Index