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Simulation of Organic Liquid Products Deoxygenation by Multistage Countercurrent Absorber/Stripping Using CO2 as Solvent with Aspen-Hysys: Thermodynamic Data Basis and EOS Modeling
Costa, E.C.; de Araújo Silva, W.; Menezes, E.G.O.; da Silva, M.P.; Cunha, V.M.B.; de Andrade Mâncio, A.; Santos, M.C.; da Mota, S.A.P.; Araújo, M.E.; Machado, N.T. Simulation of Organic Liquid Products Deoxygenation by Multistage Countercurrent Absorber/Stripping Using CO2 as Solvent with Aspen-HYSYS: Thermodynamic Data Basis and EOS Modeling. Molecules2021, 26, 4382.
Costa, E.C.; de Araújo Silva, W.; Menezes, E.G.O.; da Silva, M.P.; Cunha, V.M.B.; de Andrade Mâncio, A.; Santos, M.C.; da Mota, S.A.P.; Araújo, M.E.; Machado, N.T. Simulation of Organic Liquid Products Deoxygenation by Multistage Countercurrent Absorber/Stripping Using CO2 as Solvent with Aspen-HYSYS: Thermodynamic Data Basis and EOS Modeling. Molecules 2021, 26, 4382.
Costa, E.C.; de Araújo Silva, W.; Menezes, E.G.O.; da Silva, M.P.; Cunha, V.M.B.; de Andrade Mâncio, A.; Santos, M.C.; da Mota, S.A.P.; Araújo, M.E.; Machado, N.T. Simulation of Organic Liquid Products Deoxygenation by Multistage Countercurrent Absorber/Stripping Using CO2 as Solvent with Aspen-HYSYS: Thermodynamic Data Basis and EOS Modeling. Molecules2021, 26, 4382.
Costa, E.C.; de Araújo Silva, W.; Menezes, E.G.O.; da Silva, M.P.; Cunha, V.M.B.; de Andrade Mâncio, A.; Santos, M.C.; da Mota, S.A.P.; Araújo, M.E.; Machado, N.T. Simulation of Organic Liquid Products Deoxygenation by Multistage Countercurrent Absorber/Stripping Using CO2 as Solvent with Aspen-HYSYS: Thermodynamic Data Basis and EOS Modeling. Molecules 2021, 26, 4382.
Abstract
In this work, the thermodynamic data basis and 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 450ºC, 1.0 atmosphere, with 10% (wt.) Na2CO3 as catalyst, in multistage countercurrent absorber/stripping columns using SC-CO2 as solvent, with Aspen-Hysys was systematically investigated. The chemical composition of OLP was used to predict the physical (), thermo-physical properties (Tb, Tc, Pc, Vc), and acentric factor () 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 organic liquid products compounds (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 . For n-alkanes, the method of Marrero-Gani selected for the prediction of Tc, Pc and Vc, and that of Han-Peng for . 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 . 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 . 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 . 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 . 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 (AADx) between 0.8% and 1.25% for the liquid phase and (AADy) between 0.01% to 0.66% for gaseous phase.
Keywords
OLP; Thermodynamic Data Basis; EOS Modeling; Process Simulation; Aspen-Hysys
Subject
Engineering, Automotive Engineering
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
