Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Simulation of Organic Liquid Products Deoxygenation by Multistage Countercurrent Absorber/Stripping Using CO2 as Solvent with Aspen-Hysys: Thermodynamic Data Basis and EOS Modeling

Version 1 : Received: 1 May 2021 / Approved: 4 May 2021 / Online: 4 May 2021 (13:49:18 CEST)

How to cite: Costa, E.C.; Silva, W.D.A.; Menezes, E.G.O.; Silva, M.P.; Cunha, V.M.B.; Mâncio, A.D.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. Preprints 2021, 2021050019 (doi: 10.20944/preprints202105.0019.v1). Costa, E.C.; Silva, W.D.A.; Menezes, E.G.O.; Silva, M.P.; Cunha, V.M.B.; Mâncio, A.D.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. Preprints 2021, 2021050019 (doi: 10.20944/preprints202105.0019.v1).

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.

Subject Areas

OLP; Thermodynamic Data Basis; EOS Modeling; Process Simulation; Aspen-Hysys

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