Process simulation of organic liquid products fractionation in countercurrent multistage columns using CO2 as solvent with Aspen-Hysys

Costa, Elinéia Castro; Ferreira, Caio Campos; Santos, A.L.B. dos; Vargens, H. da Silva; Menezes, Eduardo Gama Ortiz; Cunha, Vânia Maria Borges; Silva, M.P. da; Mancio, A. A.; Machado, Nélio Teixeira; Araújo, Marilena Emmi

doi:10.1016/j.supflu.2018.06.004

Cited by 10 publications

(19 citation statements)

References 71 publications

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“…Modern design of equilibrium stage processes (e.g., fractionation of multi-component liquid mixtures by multistage countercurrent absorber/stripping columns using supercritical CO 2 as solvent) requires thermodynamic models capable of predicting the chemical composition of the coexisting phases without the preliminary use of experimental data. In addition, the applied thermodynamic models must be capable to perform accurate computation of mutual solubility’s of the coexisting liquid and gaseous phases in both sub-critical and critical regions [ 46 ]. However, simultaneous fulfillment of these requirements is a very difficult and challenging task for EOS [ 47 , 48 ].…”

Section: Introductionmentioning

confidence: 99%

“…Wheat straw was received in chopping lengths of 4–5 cm from the inaccuracy of EOS to predict the chemical composition and the mutual solubility’s of the coexisting phases in both the sub-critical and critical regions for complex systems/CO 2 , may be overcome if phase equilibrium data for some of the binary pairs (multi-component mixture compounds)- i /CO 2 are available in the literature [ 46 ].…”

Section: Introductionmentioning

confidence: 99%

“…A key point in this approach is to determine the binary interaction parameters binary

and

by correlating phase equilibrium data for the binary pairs (multi-component mixture compounds)- i /CO 2 available in the literature [ 46 ]. Knowledge of binary interaction parameters makes it possible to construct the matrix of binary interaction parameters [ 46 ].…”

Section: Introductionmentioning

confidence: 99%

“…The RK-Aspen EOS with the van der Waals mixing rules and RK-Aspen combining rules for two temperature-independent binary interaction parameters

and

, and the

between two components i and j is a function of the pure component critical properties (T ci , T cj , P ci , P cj ) and acentric factors (ω i , ω j ). In this sense, it is necessary to compute the critical properties and acentric factors of all the chemical species present in the composition of complex/multi-component mixture [ 46 ].…”

Section: Introductionmentioning

confidence: 99%

“…EOS of van der Waals type with van der Waals quadratic mixing rules, including the PR-EOS with van der Waals quadratic mixing rules, PR-EOS with quadratic mixing rules, PR-EOS with a temperature dependent binary interaction parameter

, computed by a group contribution method, applied to predict high-pressure phase equilibrium for the binary systems carboxylic acids-CO 2 , hydrocarbons-CO 2 , and fat-soluble substances-CO 2 [ 45 , 46 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 ]. Most studies analyzed the thermodynamic modeling of binary systems carboxylic acids-CO 2 , alkanes-CO 2 , alkenes-CO 2 , cycloalkanes-CO 2 , cycloalkenes-CO 2 , aromatics-CO 2 , alcohols-CO 2 , fat-soluble substances-CO 2 , and fatty alcohols-CO 2 [ 45 , 46 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 ], representing the majority of the binary pairs OLP- i /CO 2 , but also complex multi-component systems/CO 2 [ 45 , 46 ]. In addition, group contribution (GC) method combined with the perturbed-chain SAFT (PC-SAFT) and variable-range SAFT (VR-SAFT) EOS, applied to predict high-pressure phase equilibrium for the binary systems n -alkanes/CO 2 [ 56 ].…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

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

et al. 2021

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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 (AADx) between 0.8% and 1.25% and average absolute deviation for the gaseous phase (AADy) between 0.01% to 0.66%.

show abstract

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…A key point in this approach is to determine the binary interaction parameters binary

and

Section: Introductionmentioning

confidence: 99%

“…The RK-Aspen EOS with the van der Waals mixing rules and RK-Aspen combining rules for two temperature-independent binary interaction parameters

and

, and the

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

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

et al. 2021

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Computer‐Aided Design of Large‐Scale Nanomaterials Synthesis Processes: A Detailed Review

GadelHak,

Muhammad,

El‐Azazy

et al. 2024

ChemBioEng Reviews

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Efforts from the scientific community and the private sector are required to lower the costs of large‐scale production of nanomaterials (NMs) to enhance their commercialization. In this work, the computer‐aided process design of large‐scale NM synthesis procedures is comprehensively reviewed. Moreover, a generalized process flow diagram for all large‐scale production processes was constructed by surveying numerous scalable experimental procedures reported in the literature. Previous studies reporting simulation cases of large‐scale production processes of NMs and nanocomposites (NCs) are also reviewed based on the type of material produced, e.g., oxides, sulfides, carbonaceous materials, organic materials, metals, and other types of NMs. Finally, technical insights from classical chemical engineering specializations, such as altering process configurations, optimizing process variables, integrating chemical processes, utilizing renewable energy sources, conducting computational calculations, employing machine learning techniques, and studying the process's environmental impact, are reviewed for large‐scale NMs and NCs synthesis.

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Investigation of optimal operating conditions in dimethyl ether carbonylation to methyl acetate production process

Peyman,

Bijani,

Bahadori

2023

Environ Sci Pollut Res

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Process simulation of organic liquid products fractionation in countercurrent multistage columns using CO2 as solvent with Aspen-Hysys

Cited by 10 publications

References 71 publications

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

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

Computer‐Aided Design of Large‐Scale Nanomaterials Synthesis Processes: A Detailed Review

Investigation of optimal operating conditions in dimethyl ether carbonylation to methyl acetate production process

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