Sensitivity analysis of free-volume theory parameters in multicomponent polymer-solvent-solvent systems

摘要

Sensitivity analysis of free-volume theory parameters have been done in ternary polymer-solvent-solvent systems. Two ternary polymer-solvent-solvent systems have been studied: poly(styrene)-tetrahydrofuran-p-xylene and poly(methyl methacrylate)-ethylbenzene-tetrahydrofuran systems. Simulation analysis has been done to see the effect of all parameters involved in predicting the self-diffusion coefficient in polymer-solvent systems. Sensitivity analysis showed that the predictions are highly sensitive to ξ_(13) and ξ_(23) and, therefore, they need to be predicted with good accuracy and these two are not pure component properties.