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- Title
Simulation of Organic Liquid Products Deoxygenation by Multistage Countercurrent Absorber/Stripping Using CO 2 as Solvent with Aspen-HYSYS: Thermodynamic Data Basis and EOS Modeling.
- Authors
Costa, Elinéia Castro; de Araújo Silva, Welisson; Menezes, Eduardo Gama Ortiz; da Silva, Marcilene Paiva; Cunha, Vânia Maria Borges; de Andrade Mâncio, Andréia; Santos, Marcelo Costa; da Mota, Sílvio Alex Pereira; Araújo, Marilena Emmi; Machado, Nélio Teixeira
- Abstract
In this work, the thermodynamic data basis and equation of state (EOS) modeling necessary to simulate the fractionation of organic liquid products (OLP), a liquid reaction product obtained by thermal catalytic cracking of palm oil at 450 °C, 1.0 atmosphere, with 10% (wt.) Na2CO3 as catalyst, in multistage countercurrent absorber/stripping columns using supercritical carbon dioxide (SC-CO2) as solvent, with Aspen-HYSYS was systematically investigated. The chemical composition of OLP was used to predict the density (ρ), boiling temperature (Tb), critical temperature (Tc), critical pressure (Pc), critical volume (Vc), and acentric factor (ω) of all the compounds present in OLP by applying the group contribution methods of Marrero-Gani, Han-Peng, Marrero-Pardillo, Constantinou-Gani, Joback and Reid, and Vetere. The RK-Aspen EOS used as thermodynamic fluid package, applied to correlate the experimental phase equilibrium data of binary systems OLP-i/CO2 available in the literature. The group contribution methods selected based on the lowest relative average deviation by computing Tb, Tc, Pc, Vc, and ω. For n-alkanes, the method of Marrero-Gani selected for the prediction of Tc, Pc and Vc, and that of Han-Peng for ω. For alkenes, the method of Marrero-Gani selected for the prediction of Tb and Tc, Marrero-Pardillo for Pc and Vc, and Han-Peng for ω. For unsubstituted cyclic hydrocarbons, the method of Constantinou-Gani selected for the prediction of Tb, Marrero-Gani for Tc, Joback for Pc and Vc, and the undirected method of Vetere for ω. For substituted cyclic hydrocarbons, the method of Constantinou-Gani selected for the prediction of Tb and Pc, Marrero-Gani for Tc and Vc, and the undirected method of Vetere for ω. For aromatic hydrocarbon, the method of Joback selected for the prediction of Tb, Constantinou-Gani for Tc and Vc, Marrero-Gani for Pc, and the undirected method of Vetere for ω. The regressions show that RK-Aspen EOS was able to describe the experimental phase equilibrium data for all the binary pairs undecane-CO2, tetradecane-CO2, pentadecane-CO2, hexadecane-CO2, octadecane-CO2, palmitic acid-CO2, and oleic acid-CO2, showing average absolute deviation for the liquid phase ( A A D x ) between 0.8% and 1.25% and average absolute deviation for the gaseous phase ( A A D y ) between 0.01% to 0.66%.
- Subjects
ORGANIC products; CATALYTIC cracking; SUPERCRITICAL carbon dioxide; CARBON dioxide; EQUATIONS of state; PHASE equilibrium; DEOXYGENATION; SOLVENTS
- Publication
Molecules, 2021, Vol 26, Issue 14, p4382
- ISSN
1420-3049
- Publication type
Article
- DOI
10.3390/molecules26144382