Comparison of four different PC- SAFT versions to predict liquid-liquid equilibria of polymer and asphaltene systems at low temperatures
| Autor: | Doris L. Gonzalez, Wilson A. Cañas-Marín, Bibian Hoyos |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
chemistry.chemical_classification
Work (thermodynamics) Equation of state Cloud point 010405 organic chemistry General Chemical Engineering General Physics and Astronomy Thermodynamics 02 engineering and technology 01 natural sciences 0104 chemical sciences Hydrocarbon mixtures chemistry.chemical_compound Hydrocarbon 020401 chemical engineering chemistry Phase (matter) 0204 chemical engineering Physical and Theoretical Chemistry Ternary operation Asphaltene |
| Zdroj: | Fluid Phase Equilibria. 521:112646 |
| ISSN: | 0378-3812 |
| DOI: | 10.1016/j.fluid.2020.112646 |
| Popis: | In this work, a simple temperature- and density-effective diameter expression recently published in the literature was combined with a new set of universal constants for the perturbed chain-statistical association fluid theory equation of state (PC- SAFT EoS). Then, the resulting PC- SAFT version was used to perform thermodynamic calculations of Brown's first- order ideal curves, phase behavior for simple hydrocarbon binary mixtures (critical loci), cloud-points (CP) for ternary polymeric mixtures, and asphaltene onset pressures (AOPs) for ill- and well-defined hydrocarbon mixtures prone to precipitate asphaltenes. In addition, the new PC- SAFT version was used to predict the crossover temperatures of one of the ill-defined petroleum mixtures under the injection of different amounts of CO2. This modified PC- SAFT model predicted both AOPs and CPs lower than those found by using the original universal constants by Gross and Sadowski (GS). The predictive calculations with both GS and Liang- Kontogeorgis (LK) universal constants produced as a result that a temperature- and density-dependent effective diameter significantly modifies the predictions for dense and complex systems, while does not generate an important impact on the calculation of properties of systems made-up by simple molecules under ordinary conditions. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect