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

2012 ◽  
Vol 32 (8-9) ◽  
pp. 463-473 ◽  
Author(s):  
Raj Kumar Arya ◽  
Madhu Vinjamur
Keyword(s):  
Sensitivity Analysis ◽  
Free Volume ◽  
Simulation Analysis ◽  
Pure Component ◽  
Free Volume Theory ◽  
Solvent Systems ◽  
Multicomponent Polymer ◽  
Ternary Polymer ◽  
Solvent Solvent ◽  
Polymer Solvent

Abstract 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 ξ13 and ξ23 and, therefore, they need to be predicted with good accuracy and these two are not pure component properties.

Binary Mutual Diffusion Coefficients of Polymer/Solvent Systems Using Compressible Regular Solutions Theory and Free Volume Theory

2016 ◽  
Vol 41 (3) ◽  
Author(s):  
Arsalan Farajnezhad ◽  
Orang Asef Afshar ◽  
Milad Asgarpour Khansary ◽  
Saeed Shirazian
Keyword(s):  
Free Volume ◽  
Diffusion Coefficients ◽  
Pure Component ◽  
Mutual Diffusion ◽  
Free Volume Theory ◽  
Chemical Thermodynamic ◽  
Fugacity Coefficients ◽  
Solvent Systems ◽  
Polymeric Solutions ◽  
Polymer Solvent

AbstractThe free volume theory has found practical application for prediction of diffusional behavior of polymer/solvent systems. In this paper, reviewing free volume theory, binary mutual diffusion coefficients in some polymer/solvent systems have been systematically presented through chemical thermodynamic modeling in terms of both activity coefficients and fugacity coefficients models. Here chemical thermodynamic model of compressible regular solution (CRS) was used for evaluation of diffusion coefficients calculations as the pure component properties would be required only. Four binary polymeric solutions of cyclohexane/polyisobutylene,

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