Prediction of mutual diffusion coefficient in polymer solution

초록

The solvent chemical potential derivative (i.e. (∂μ<inf>1</inf>/∂ω-1$/)<inf>T, P</inf> is derived from the thermodynamic relation and mutual diffusion coefficients (D) are calculated with original UNIFAC-FV (Model 1) and the modified UNIFAC-FV (Model 2) without any assumption or simplification. Model 1&2 proposed in this work well correlate the experimental data of mutual diffusion coefficients in PIB/solvent systems and PMS-BR copolymer/solvent systems. It is shown that Model 1&2 are alternative tools to Flory-Huggins method for predicting mutual diffusion coefficients in polymer/solvent systems over wide ranges of temperature and concentration without any assumption. The solvent chemical potential derivative (i.e. (δμ<inf>1</inf>/δω<inf>1</inf>)(T.P) is derived from the thermodynamic relation and mutual diffusion coefficients (D) are calculated with original UNIFAC-FV (Model 1) and the modified UNIFAC-FV (Model 2) without any assumption or simplification. Model 1 and 2 proposed in this work well correlate the experimental data of mutual diffusion coefficients in PIB/solvent systems and PMS-BR copolymer/solvent systems. It is shown that Model 1 and 2 are alternative tools to Flory - Huggins method for predicting mutual diffusion coefficients in polymer/solvent systems over wide ranges of temperature and concentration without any assumption. ũ 2000 Elsevier Science B.V.

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