Modeling the Phase Behavior of Carbon Dioxide Solubility in Deep Eutectic Solvents with the Cubic Plus Association Equation of State

2017 ◽  
Vol 63 (4) ◽  
pp. 897-906 ◽  
Author(s):  
Reza Haghbakhsh ◽  
Sona Raeissi
Keyword(s):  
Carbon Dioxide ◽  
Equation Of State ◽  
Phase Behavior ◽  
Deep Eutectic Solvents

Modeling the Phase Behavior of PEO−PPO−PEO Surfactants in Carbon Dioxide Using the PC-SAFT Equation of State: Application to Dry Decontamination of Solid Substrates†

2009 ◽  
Vol 54 (5) ◽  
pp. 1551-1559 ◽  
Author(s):  
Ivan Stoychev ◽  
Julien Galy ◽  
Bruno Fournel ◽  
Patrick Lacroix-Desmazes ◽  
Matthias Kleiner ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Equation Of State ◽  
Phase Behavior ◽  
Solid Substrates

scholarly journals Una extensión teórica aplicada a los ácidos puros de cadena larga en la fase líquida para analizar su comportamiento en la fase sólida

2021 ◽  
Vol 34 (2) ◽  
Author(s):  
Moilton Franco Junior ◽  
Nattacia Rocha ◽  
Warley Pereira
Keyword(s):  
Experimental Data ◽  
Carbon Dioxide ◽  
Liquid Phase ◽  
Equation Of State ◽  
Bulk Modulus ◽  
Phase Behavior ◽  
Solid Phase ◽  
The One

In this work, Peng-Robinson EOS (equation of state) was chosen to represent liquid phase behavior. Then, regarding the three acids, Lauric, Palmitic and Stearic, bulk modulus coefficients were calculated in three values of pressures (0.1, 1.0 and 2.0 GPa) and a range of temperature of 350-450 K. According to the literature, results for carbon dioxide, bulk modulus in the liquid phase is in the same line for the one in the solid phase considering the temperature dimension. Based on it, in this work, the bulk modulus was estimated at three temperatures for three acids in solid-phase by extrapolating the results in the liquid phase. Despite there are no experimental data available in the literature, these results seem to be consistent with the thermodynamic constraints, and useful discussions were provided.

scholarly journals The Effect of Functional Groups on the Phase Behavior of Carbon Dioxide Binaries and Their Role in CCS

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3733
Author(s):  
Sergiu Sima ◽  
Catinca Secuianu
Keyword(s):  
Carbon Dioxide ◽  
Equation Of State ◽  
Ethyl Acetate ◽  
Phase Behavior ◽  
Critical Points ◽  
Binary Systems ◽  
Binary Interaction ◽  
Co2 Absorption ◽  
Co2 Solubility ◽  
Binary Model

In recent years we have focused our efforts on investigating various binary mixtures containing carbon dioxide to find the best candidate for CO2 capture and, therefore, for applications in the field of CCS and CCUS technologies. Continuing this project, the present study investigates the phase behavior of three binary systems containing carbon dioxide and different oxygenated compounds. Two thermodynamic models are examined for their ability to predict the phase behavior of these systems. The selected models are the well-known Peng–Robinson (PR) equation of state and the General Equation of State (GEOS), which is a generalization for all cubic equations of state with two, three, and four parameters, coupled with classical van der Waals mixing rules (two-parameter conventional mixing rule, 2PCMR). The carbon dioxide + ethyl acetate, carbon dioxide + 1,4-dioxane, and carbon dioxide + 1,2-dimethoxyethane binary systems were analyzed based on GEOS and PR equation of state models. The modeling approach is entirely predictive. Previously, it was proved that this approach was successful for members of the same homologous series. Unique sets of binary interaction parameters for each equation of state, determined for the carbon dioxide + 2-butanol binary model system, based on k12–l12 method, were used to examine the three systems. It was shown that the models predict that CO2 solubility in the three substances increases globally in the order 1,4-dioxane, 1,2-dimethoxyethane, and ethyl acetate. CO2 solubility in 1,2-dimethoxyethane, 1.4-dioxane, and ethyl acetate reduces with increasing temperature for the same pressure, and increases with lowering temperature for the same pressure, indicating a physical dissolving process of CO2 in all three substances. However, CO2 solubility for the carbon dioxide + ether systems (1,4-dioxane, 1,2-dimethoxyethane) is better at low temperatures and pressures, and decreases with increasing pressures, leading to higher critical points for the mixtures. By contrast, the solubility of ethyl acetate in carbon dioxide is less dependent on temperatures and pressures, and the mixture has lower pressures critical points. In other words, the ethers offer better solubilization at low pressures; however, the ester has better overall miscibility in terms of lower critical pressures. Among the binary systems investigated, the 1,2-dimethoxyethane is the best solvent for CO2 absorption.

scholarly journals Revisiting Kelvin equation and Peng–Robinson equation of state for accurate modeling of hydrocarbon phase behavior in nano capillaries

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Ilyas Al-Kindi ◽  
Tayfun Babadagli
Keyword(s):  
Experimental Data ◽  
Surface Tension ◽  
Equation Of State ◽  
Phase Behavior ◽  
Pore Radius ◽  
Microfluidic Chips ◽  
Tight Sandstone ◽  
Kelvin Equation ◽  
Rock Samples ◽  
Robinson Equation

AbstractThe thermodynamics of fluids in confined (capillary) media is different from the bulk conditions due to the effects of the surface tension, wettability, and pore radius as described by the classical Kelvin equation. This study provides experimental data showing the deviation of propane vapour pressures in capillary media from the bulk conditions. Comparisons were also made with the vapour pressures calculated by the Peng–Robinson equation-of-state (PR-EOS). While the propane vapour pressures measured using synthetic capillary medium models (Hele–Shaw cells and microfluidic chips) were comparable with those measured at bulk conditions, the measured vapour pressures in the rock samples (sandstone, limestone, tight sandstone, and shale) were 15% (on average) less than those modelled by PR-EOS.

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