CORRELATION OF THE BINARY INTERACTION PARAMETER OF THE MODIFIED GENERALIZED BWR EQUATION OF STATE

Optimization of post polymerization processes of polyolefin elastomers (POE) involving solvents is of considerable industrial interest. To this aim, experimental determination and theoretical interpretation of the thermodynamics and mass transport properties of POE-solvent mixtures is relevant. Sorption behavior of n-hexane vapor in a commercial propylene-ethylene elastomer (V8880 VistamaxxTM from ExxonMobil, Machelen, Belgium) is addressed here, determining experimentally the sorption isotherms at temperatures ranging from 115 to 140 °C and pressure values of n-hexane vapor up to 1 atm. Sorption isotherms have been interpreted using a Non Random Lattice Fluid (NRLF) Equation of State model retrieving, from data fitting, the value of the binary interaction parameter for the n-hexane/V8880 system. Both the cases of temperature-independent and of temperature-dependent binary interaction parameter have been considered. Sorption kinetics was also investigated at different pressures and has been interpreted using a Fick’s model determining values of the mutual diffusivity as a function of temperature and of n-hexane/V8880 mixture composition. From these values, n-hexane intra-diffusion coefficient has been calculated interpreting its dependence on mixture concentration and temperature by a semi-empiric model based on free volume arguments.

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Modelling Sorption Thermodynamics and Mass Transport of n-Hexane in a Propylene-Ethylene Elastomer

10.20944/preprints202103.0086.v1 ◽

2021 ◽

Author(s):

Daniele Tammaro ◽

Lorenzo Lombardi ◽

Giuseppe Scherillo ◽

Ernesto Di Maio ◽

Navanshu Ahuja ◽

...

Keyword(s):

Mass Transport ◽

Interaction Parameter ◽

Sorption Isotherms ◽

Sorption Kinetics ◽

Binary Interaction ◽

Binary Interaction Parameter ◽

Theoretical Interpretation ◽

Solvent Mixtures ◽

Sorption Behaviour ◽

S Model

Optimization of post polymerization devolatilization process of polyolefin elastomers (POE) is of considerable industrial interest. To this aim, experimental determination and theoretical interpretation of the thermodynamics and mass transport properties of POE-solvent mixtures is relevant. Sorption behaviour of n-hexane vapour in a commercial propylene-ethylene elastomer (V8880 VistamaxxTM from ExxonMobil) is addressed here, determining experimentally the sorption isotherms at temperatures ranging from 115 to 140 °C and pressure values of n-hexane vapour up to 1 atm. Sorption isotherms have been interpreted with the Non-Random-Hydrogen-Bonding Equation of State model retrieving, from data fitting, the value of the binary interaction parameter for the n-hexane/V8880 system. Both the case of temperature-independent and of temperature-dependent binary interaction parameter have been considered. Sorption kinetics was also investigated at different pressures and has been interpreted using a Fick’s model determining values of the mutual diffusivity as a function of temperature and of n-hexane/V8880 mixture composition. From these values, n-hexane intra-diffusion coefficient has been calculated interpreting its dependence on mixture concentration and temperature by a semi-empiric model based on free volume arguments.

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Application of Peng-Robinson Equation of State for Calculating Solid-Vapor and Solid-Liquid Equilibrium of CH4-CO2 System

Modern Applied Science ◽

10.5539/mas.v9n7p177 ◽

2015 ◽

Vol 9 (7) ◽

pp. 177 ◽

Cited By ~ 3

Author(s):

Gede Wibawa ◽

Muhammad F. A. Nafi ◽

Asti Permatasari ◽

Asalil Mustain

Keyword(s):

Equation Of State ◽

Binary Interaction ◽

Binary Interaction Parameter ◽

Average Absolute Deviation ◽

Liquid Equilibrium ◽

Absolute Deviation ◽

Vapor Equilibrium ◽

Solid Liquid ◽

Parameter Values ◽

Robinson Equation

In this study, the performances of Peng-Robinson Equation of State combined with the classical mixing ruleswere evaluated to calculate solid-vapor equilibrium (SVE) and solid-liquid equilibrium (SLE) of CH4-CO2system. The evaluation was performed by comparing the calculated values with the literature data. In thecalculation of SVE, the new binary interaction parameter values (kij) of CH4-CO2 mixtures were proposed in thiswork based on the experimental data. The proposed kij obtained in this work might increase the accuracy ofPeng-Robinson Equation of State by reducing average absolute deviation in the temperatures between calculatedvalues and literature data from (2.18% to 0.26%), (0.88% to 0.70%) and (0.61% to 0.44%) at CO2 compositionof 1%, 1.91% and 2.93%, respectively. Significant improvement was found at CO2 composition of 1%. In thecalculation of SLE, new parameters were not proposed since the calculation using the existing (literature) kijgives good results with an average absolute deviation of 0.5%.

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