研究目的
Investigating the predictive capabilities of a new nonrandom two-liquid (NRTL) equation for modeling solid?liquid equilibrium in n-alkanes mixtures, including the prediction of multiple solid solutions.
研究成果
The proposed predictive NRTL model effectively describes the nonideality of the n-alkanes solid phase, providing accurate phase diagrams for solid?solid transition with complete or partial miscibility. It also predicts multiple solid solutions in multi-Cn mixtures, with the number of solutions changeable based on the Cn range in the feed. The model's accuracy is validated against experimental data, showing adequate performance in predicting wax appearance temperature and solid deposit mass.
研究不足
The model's limitation appears when the mismatch parameter becomes significant, as the solid exists as pure components. This deficiency occurs due to the use of activity coefficients based on the premise that all components are in a mixture, not pure components.
1：Experimental Design and Method Selection:
The study employs a predictive NRTL equation based on binary experimental data to model the solid?liquid equilibrium in n-alkanes mixtures. The model's binary interaction parameters are derived from a correlation formula based on the relationship between excess Gibbs free energy and carbon number mismatch in binary mixtures.
2：Sample Selection and Data Sources:
Binary experimental data from n-alkanes mixtures are used to regress the coefficients of the correlation formula. The sources of experimental data are listed in the Supporting Information.
3：List of Experimental Equipment and Materials:
Not explicitly mentioned in the abstract.
4：Experimental Procedures and Operational Workflow:
The model is tested against the crystallization behaviors of nine mixtures to validate its accuracy and predictive capabilities.
5：Data Analysis Methods:
The performance of the thermodynamic model is evaluated based on its ability to predict solid?liquid equilibrium and multiple solid solutions in n-alkanes mixtures.
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