Vanessa Villazón León - Academia.edu (original) (raw)
Uploads
Papers by Vanessa Villazón León
International Journal of Chemical Engineering
The thermodynamic properties of pure compounds are relevant data for process systems engineering.... more The thermodynamic properties of pure compounds are relevant data for process systems engineering. Different first-order group contribution models have been reported in the literature to calculate these properties and they are also widely employed in commercial process simulators. However, they may have some limitations and, consequently, a reliable comparison of these models is required to analyze their performance and to determine the best alternative for the calculation of pure compound properties. This paper reports the implementation and evaluation of several first-order group contribution models to calculate the normal boiling point and critical properties (temperature, pressure, and volume) of pure compounds. The performance of these models was characterized and compared for several compound families using a standardized approach to determine their group contributions and parameters. An artificial neural network model was also applied and assessed to improve the estimations ob...
International Journal of Chemical Engineering
The thermodynamic properties of pure compounds are relevant data for process systems engineering.... more The thermodynamic properties of pure compounds are relevant data for process systems engineering. Different first-order group contribution models have been reported in the literature to calculate these properties and they are also widely employed in commercial process simulators. However, they may have some limitations and, consequently, a reliable comparison of these models is required to analyze their performance and to determine the best alternative for the calculation of pure compound properties. This paper reports the implementation and evaluation of several first-order group contribution models to calculate the normal boiling point and critical properties (temperature, pressure, and volume) of pure compounds. The performance of these models was characterized and compared for several compound families using a standardized approach to determine their group contributions and parameters. An artificial neural network model was also applied and assessed to improve the estimations ob...