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2006•Journal of Beijing University of Chemical TechnologyRequires access

Calculation of liquid-liquid equilibria for systems containing perfluorocarbons using the NRTL and UNIQUAC models

Li‐Sheng Wang

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Abstract

The NRTL and UNIQUAC activity coefficient models were modified by introduction of temperature dependent hyperbola functions of the interaction parameters with temperature in place of the linear functions used up to now.As a result,the accuracy of calculations of solubility at near upper critical solution temperature (UCST) was improved significantly.The modified models were used for calculation of liquid-liquid equilibria(LLE) in binary mixtures of perfluorocarbons and different organic solvents.Detailed calculations of LLE in systems containing benzene and perfluoroheptane are given as an example in this work.The results obtained were compared with experimental data,and the overall-average deviations (AAD) of the NRTL and UNIQUAC models were 2.64% and 2.16% respectively.

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What this paper is about

The NRTL and UNIQUAC activity coefficient models were modified by introduction of temperature dependent hyperbola functions of the interaction parameters with temperature in place of the linear functions used up to now.As a result,the accuracy of calculations of solubility at near upper critical solution temperature (UCST) was improved significantly.The modified models were used for calculation of liquid-liquid equilibria(LLE) in binary mixtures of perfluorocarbons and different organic solvents.Detailed calculations of LLE in systems containing benzene and perfluoroheptane are given as an example in this work.The results obtained were compared with experimental data,and the overall-average deviations (AAD) of the NRTL and UNIQUAC models were 2.64% and 2.16% respectively.

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Available abstract

The NRTL and UNIQUAC activity coefficient models were modified by introduction of temperature dependent hyperbola functions of the interaction parameters with temperature in place of the linear functions used up to now.As a result,the accuracy of calculations of solubility at near upper critical solution temperature (UCST) was improved significantly.The modified models were used for calculation of liquid-liquid equilibria(LLE) in binary mixtures of perfluorocarbons and different organic solvents.Detailed calculations of LLE in systems containing benzene and perfluoroheptane are given as an example in this work.The results obtained were compared with experimental data,and the overall-average deviations (AAD) of the NRTL and UNIQUAC models were 2.64% and 2.16% respectively.

Key concepts: UNIQUAC, Non-random two-liquid model, Upper critical solution temperature, Thermodynamics, Activity coefficient, Work (physics), Chemistry, Benzene

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