scholarly journals 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 ◽  
Vol 26 (14) ◽  
pp. 4382
Author(s):  
Elinéia Castro Costa ◽  
Welisson de Araújo Silva ◽  
Eduardo Gama Ortiz Menezes ◽  
Marcilene Paiva da Silva ◽  
Vânia Maria Borges Cunha ◽  
...  
Keyword(s):  
Organic Liquid ◽  
Phase Equilibrium Data ◽  
Average Absolute Deviation ◽  
Experimental Phase ◽  
Absolute Deviation ◽  
Aspen Hysys ◽  
Experimental Phase Equilibrium ◽  
Liquid Products ◽  
Equilibrium Data ◽  
Group Contribution Methods

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%.

Experimental Phase Equilibrium Data for Rotenone in Supercritical Carbon Dioxide

2019 ◽  
Vol 64 (6) ◽  
pp. 2357-2362 ◽  
Author(s):  
Jéssica Carvalho Lima ◽  
Paulo Cardozo Carvalho de Araújo ◽  
Gilson dos Santos Croscato ◽  
Ossalin de Almeida ◽  
Vladimir Ferreira Cabral ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Phase Equilibrium ◽  
Supercritical Carbon Dioxide ◽  
Phase Equilibrium Data ◽  
Experimental Phase ◽  
Experimental Phase Equilibrium ◽  
Equilibrium Data ◽  
Supercritical Carbon

Optimization of Cryogenic Carbon Dioxide Removal from CO2-CH4 System by Response Surface Methodology

2020 ◽  
Vol 997 ◽  
pp. 103-110
Author(s):  
Muhammad Babar ◽  
Mohamad Azmi Bustam ◽  
Abulhassan Ali ◽  
Abdulhalim Shah Maulud
Keyword(s):  
Response Surface Methodology ◽  
Phase Equilibrium ◽  
Natural Gas ◽  
Response Surface ◽  
Energy Requirement ◽  
Minimum Energy ◽  
Research Work ◽  
Phase Equilibrium Data ◽  
Aspen Hysys ◽  
Equilibrium Data

The presence of high CO2 content in natural gas reservoirs is one of the significant threats to the environment. Cryogenic CO2 capture technology is amongst the emerging technologies used for natural gas purification before customer use. In this research work, the binary CO2-CH4 mixture having 75% CO2 content is studied. Aspen Hysys simulator with Peng Robinson property package is used for the prediction of phase equilibrium data for the binary mixture. The data obtained through the Aspen Hysys simulator is optimized for the S-V two-phase region for maximum CO2 capture. Response surface methodology is used for the optimization of the predicted data. Optimization of the pressure and temperature conditions is done to obtain maximum CH4 in the top stream and minimum CO2 with minimum energy requirement. In this research work, the pressure and temperature ranges selected from the predicted phase equilibrium data for the optimization are 1 to 20 bar and-65 to-150 °C respectively. At atmospheric pressure and-123.50 °C, the desirability value is maximum, which is 0.843. under these conditions, the CO2 and CH4 in the top product stream are 1070.72 Kg/hr and 152.04 Kg/hr respectively with an energy requirement of 2.087 GJ/hr.

scholarly journals Simulation of Organic Liquid Products Deoxygenation by Multistage Countercurrent Absorber/Stripping Using CO2 as Solvent with Aspen-HYSYS: Process Modeling and Simulation

2022 ◽  
Author(s):  
Manoel Raimundo dos Santos Jr. ◽  
Elinéia Castro Costa ◽  
Caio Campos Ferreira ◽  
Lucas Pinto Bernar ◽  
Marcilene Paiva da Silva ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Process Modeling ◽  
Catalytic Cracking ◽  
Organic Liquid ◽  
Solvent Free ◽  
Free Basis ◽  
Aspen Hysys ◽  
Liquid Products ◽  
Heat Exchanges ◽  
Process Simulator

In this work, the deoxygenation of organic liquid products (OLP) obtained by thermal catalytic cracking of palm oil at 450 °C, 1.0 atmosphere, with 10% (wt.) Na2CO3 as catalyst, in multistage countercurrent absorber columns using supercritical carbon dioxide (SC-CO2) as solvent, with Aspen-HYSYS process simulator was systematically investigated. In a previous study, the thermodynamic data basis and EOS modeling necessary to simulate the deoxygenation of OLP has been presented [Molecules 2021, 26, 4382. https://doi.org/10.3390/molecules26144382]. This work address a new flowsheet, consisting of 03 absorber columns, 10 expansions valves, 10 flash drums, 08 heat exchanges, 01 pressure pump, and 02 make-up of CO2, aiming to improve the deacidification of OLP. The simulation was performed at 333 K, 140 bar, and (S/F) = 17; 350 K, 140 bar, and (S/F) = 38; 333 K, 140 bar, and (S/F) = 25. The simulation shows that 81.49% of OLP could be recovered and the concentrations of hydrocarbons in the extracts of absorber-01 and absorber-02 were 96.95 and 92.78% (wt.) in solvent-free basis, while the bottom stream of absorber-03 was enriched in oxygenates compounds with concentrations up to 32.66% (wt.) in solvent-free basis, showing that organic liquid products (OLP) was deacidified and SC-CO2 was able to deacidify OLP and to obtain fractions with lower olefins content. The best deacidifying conditions was obtained at 333 K, 140 bar, and (S/F) = 17.

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

2018 ◽  
Vol 140 ◽  
pp. 101-115 ◽  
Author(s):  
E.C. Costa ◽  
C.C. Ferreira ◽  
A.L.B. dos Santos ◽  
H. da Silva Vargens ◽  
E.G.O. Menezes ◽  
...  
Keyword(s):  
Process Simulation ◽  
Organic Liquid ◽  
Aspen Hysys ◽  
Liquid Products ◽  
Products Fractionation

Thermodynamic investigation of hydrate-based CO2 capture from simulated flue gas with new mixed promoters

2021 ◽  
Vol 19 (1) ◽  
pp. 75-85
Author(s):  
Jing Bai ◽  
Canwei Cheng ◽  
Yuanxia Wei ◽  
Kele Yan ◽  
Pan Li ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Phase Equilibrium ◽  
Flue Gas ◽  
Experimental Results ◽  
Ammonium Bromide ◽  
Phase Equilibrium Data ◽  
Absolute Deviation ◽  
Equilibrium Data ◽  
Robinson Equation ◽  
Good Agreement

Abstract CO2 hydrate-based desalination (CHBD) has been developing for decades to meet the global demands of decreasing carbon dioxide (CO2) emissions. In this work, the CO2 was captured from the simulated flue gas which consists of 18.30 mol% carbon dioxide and 81.70 mol% nitrogen in the presence of tetra-n-butyl ammonium bromide (TBAB) + cyclopentane (CP) + glucoamylase. Then the phase equilibrium data of CO2 hydrate were measured by the method of isochoric pressure-search. Among the seven cases with same concentration of TBAB (0.29 mol%) and CP (5.00 vol%) and different glucoamylase proportions (ranging from 0.00 to 20.00 wt%), the optimum concentration of glucoamylase in the mixed promoters was 3.00 wt%. The phase equilibrium data was calculated by the modified van der Waals–Platteeuw (vdW–P) model with a modification of vapor pressure of water in the empty hydrate lattice. The Peng–Robinson equation of state was used to calculate the fugacity of gas. The maximum average absolute deviation was 4.09% between the calculated results and the experimental results. It revealed that the calculated results were in good agreement with the experimental results.

EXPERIMENTAL PHASE EQUILIBRIUM OF SULFUR HEXAFLUORIDE AND MINERAL OIL

2020 ◽  
Author(s):  
Afonso Ferreira Miguel Junior ◽  
Luiz Fernando Santos de Vasconcelos ◽  
Celina Kakitani ◽  
césar yutaka ofuchi ◽  
Moisés Marcelino Neto ◽  
...  
Keyword(s):  
Phase Equilibrium ◽  
Sulfur Hexafluoride ◽  
Mineral Oil ◽  
Experimental Phase ◽  
Experimental Phase Equilibrium

Solubility of the pesticide diuron in organic nonelectrolyte solvents. Comparison of observed vs. predicted values based upon Mobile Order theory

2000 ◽  
Vol 78 (2) ◽  
pp. 184-190 ◽  
Author(s):  
Karina M De Fina ◽  
Tina L Sharp ◽  
Michael A Spurgin ◽  
Ivette Chuca ◽  
William E Acree, Jr. ◽  
...  
Keyword(s):  
Order Theory ◽  
Average Absolute Deviation ◽  
Absolute Deviation ◽  
Solubility Predictions ◽  
Mobile Order Theory ◽  
Dimethyl Urea ◽  
Organic Nonelectrolyte ◽  
Predicted Values ◽  
Alcohol Solvents ◽  
Mobile Order

Experimental solubilities are reported at 25.0°C for diuron (also called 3-(3,4-dichlorophenyl)-1,1-dimethyl urea) dissolved in 49 different organic nonelectrolyte solvents containing ether-, chloro-, hydroxy-, ester-, methyl-, and tert-butyl-functional groups. Results of these measurements are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 28 nonalcoholic solvents for which predictions could be made computations show that Mobile Order theory does provide fairly reasonable estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is 60.1%. Diuron solubilities in the alcohol solvents are used to calculate stability constants for presumed solute-solvent hydrogen bonds that are believed to occur in solution.Key words: pesticide, diuron solubilities, organic nonelectrolyte solvents, solubility predictions.

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