Status : Verified
| Personal Name | Almajose, Allan Paolo L. |
|---|---|
| Resource Title | Prediction of pure and mixture thermodynamic properties and phase equilibria using optimized equations of state |
| Date Issued | 31 May 2024 |
| Abstract | Regarding pressure-volume-temperature (PVT) thermodynamic property modelling, the Soave-Redlich-Kwong (SRK) and Peng-Robinson (PR) equations are known as the most successful equations of state to date, largely because of their simplicity and engineering flexibility. In an endeavor to improve volumetric and caloric predictions by the two foremost equations of state, attempts such as reworking the temperature dependencies of the attractive term, addition of volume translation terms, and derivation of mixing rules for mixture phase equilibria have been implemented. While such modifications have improved the predictive power of the two equations, the inherent weakness of a two-parameter cubic equation convinced researchers to develop more powerful equations which involve the modification of the volume dependency of the attractive term, recasting of the repulsion term to model rigid noninteracting spheres, and addition of equation of state parameters. In addition, attempts to generalize such equations in line with the corresponding states principle with moderate success. However, all these modifications come with the cost of thermodynamic inconsistency, mathematical complexity, and computational firepower required to execute the PVT equation. Herein, we aim to discuss the development of equations of state that can describe volumetric and caloric properties of classical fluids at enhanced ranges, keeping in mind thermodynamic consistency restrictions and mathematical rigor involved. As the development of the attractive term is largely empirical, numerical optimization will be employed to develop the optimal form of the volume dependency of the attractive term. Moreover, the determination of thermodynamically-consistent temperature dependencies for the attraction term will be considered. Once the optimal equations of state that can model pure-fluid behavior has been derived, the equations will then be generalized and extended to mixtures, in line with the corresponding sta |
| Degree Course | PhD Chemical Engineering |
| Language | English |
| Keyword | classical thermodynamics; van der Waals forces; equation of state; PVT modelling; numerical optimization; phase equilibrium |
| Material Type | Thesis/Dissertation |
Preliminary Pages
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Category : I - Has patentable or registrable invention of creation.
Access Permission : Limited Access