Renormalization Group Theory Applied to the CPA Equation of State: Impacts on Phase Equilibrium and Derivative Properties

2019 ◽  
Author(s):  
Gabriel Silva ◽  
Charlles Abreu ◽  
Frederico W. Tavares

Calculation of thermodynamic properties such as vapor-liquid phase behavior with equations of state is largely and successfully employed in chemical engineering applications.<br>However, in the proximities of the critical point, the different density-fluctuation scales inherent to critical phenomena introduce significant changes in these thermodynamic properties, with which the classical equations of state are not prepared to deal.<br>Aiming at correcting this failure, we apply a renormalization-group methodology to the CPA equation of state in order to improve the thermodynamic description in the vicinity of critical points.<br>We use this approach to compute vapor-liquid equilibrium of pure components and binary mixtures, as well as derivative properties such as speed of sound and heat capacity.<br>Our results show that this methodology is able to provide an equation of state with the correct non-classical behavior, thus bringing it in consonance with experimental observation of vapor-liquid equilibrium and derivative properties in near-critical conditions.

2019 ◽  
Author(s):  
Gabriel Silva ◽  
Charlles Abreu ◽  
Frederico W. Tavares

Calculation of thermodynamic properties such as vapor-liquid phase behavior with equations of state is largely and successfully employed in chemical engineering applications.<br>However, in the proximities of the critical point, the different density-fluctuation scales inherent to critical phenomena introduce significant changes in these thermodynamic properties, with which the classical equations of state are not prepared to deal.<br>Aiming at correcting this failure, we apply a renormalization-group methodology to the CPA equation of state in order to improve the thermodynamic description in the vicinity of critical points.<br>We use this approach to compute vapor-liquid equilibrium of pure components and binary mixtures, as well as derivative properties such as speed of sound and heat capacity.<br>Our results show that this methodology is able to provide an equation of state with the correct non-classical behavior, thus bringing it in consonance with experimental observation of vapor-liquid equilibrium and derivative properties in near-critical conditions.


Author(s):  
T. Luo ◽  
A.Yu. Chirkov

Thermodynamic properties of multicomponent mixtures in phase equilibrium were studied. The tangent plane criterion was used for stability analysis, and the Gibbs energy minimization was employed for phase equilibrium calculation when the successive substitution didn't converge. Thermodynamic properties of a 12-component natural gas mixture in vapor-liquid equilibrium were calculated with highly accurate Helmholtz free energy equation of state GERG--2008, simplified GERG--2008 and common cubic Peng --- Robinson (PR) equation of state. Results show that in vapor-liquid equilibrium, GERG--2008 has high accuracy and works better than simplified GERG--2008 and PR-equation of state. Simplified GERG--2008 and PR-equation of state both work unsatisfactorily in vapor-liquid equilibrium calculation, especially near the saturation zone. The deviation function in GERG--2008 can significantly affect the accuracy of GERG--2008 when calculating thermodynamic properties of mixtures in vapor-liquid equilibrium


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