High pressures phase equilibria of (carbon dioxide + 1-undecanol) system and their potential role in carbon capture and storage

Secuianu, Catinca; Ioniţă, Simona; Feroiu, Viorel; Geană, Dan

doi:10.1016/j.jct.2015.08.005

Cited by 16 publications

(21 citation statements)

References 21 publications

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“…Although correlating experimental data on a limited range of pressures, temperatures, and compositions is the preferred method by many research groups, efforts were dedicated to analyzing the phase behavior of systems using a global approach [ 17 , 18 , 19 , 20 , 21 , 22 , 23 , 34 , 35 , 37 , 38 , 39 , 42 ]. In a previous study [ 34 ] we predicted the phase behavior of the carbon dioxide + 2-butanol binary system, as extensive experimental data were available, using the k 12 – l 12 method [ 42 ].…”

Section: Resultsmentioning

confidence: 99%

“…In this context our group focused on investigating the phase behavior of carbon dioxide with various organic compounds as a way of carbon mitigation. The phase behavior (and thermophysical properties) of selected hydrocarbons ( n -alkanes, branched alkanes, naphthenes) and functional group substances (e.g., alcohols, ethers, esters) were studied to determine their suitability as CO 2 capture solvents/cosolvents [ 17 , 18 , 19 , 20 , 21 , 22 , 23 ]. Experiments are well known for being both costly and time consuming.…”

Section: Introductionmentioning

confidence: 99%

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

Sima

Secuianu

2021

Molecules

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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.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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

Sima

Secuianu

2021

Molecules

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“…The uncertainties all variables and properties are estimated [21]. For the phase equilibrium compositions, the relative uncertainty of the mole fraction in the liquid and vapor phases are calculated using the procedure given by Scheidgen [36].…”

Section: Experimental Methods and Setup For Measuring Pe At Hpmentioning

confidence: 99%

“…In this context we recently focused on the phase behavior research of physical solvents for carbon dioxide capture. Phase equilibria (PE) at high-pressures (HP) of carbon dioxide with different classes of organic substances, such as alkanes [15], cycloalkanes [16][17][18], ethers [19,20], alcohols [21][22][23][24], esters, ketones, were investigated to illustrate the functional group effect on the solvent ability to dissolve CO 2 .…”

Section: Introductionmentioning

confidence: 99%

Phase Equilibria for Carbon Capture and Storage

Secuianu¹,

Sima²

2021

Carbon Capture

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Carbon dioxide (CO2) is an important material in many industries but is also representing more than 80% of greenhouse gases (GHGs). Anthropogenic carbon dioxide accumulates in the atmosphere through burning fossil fuels (coal, oil, and natural gas) in power plants and energy production facilities, and solid waste, trees, and other biological materials. It is also the result of certain chemical reactions in different industry (e.g., cement and steel industries). Carbon capture and storage (CCS), among other options, is an essential technology for the cost-effective mitigation of anthropogenic CO2 emissions and could contribute approximately 20% to CO2 emission reductions by 2050, as recommended by International Energy Agency (IEA). Although CCS has enormous potential in numerous industries and petroleum refineries due their large CO2 emissions, a significant impediment to its utilization on a large scale remains both operating and capital costs. It is possible to reduce the costs of CCS for the cases where industrial processes generate pure or rich CO2 gas streams, but they are still an obstacle to its implementation. Therefore, significant interest was dedicated to the development of improved sorbents with increased CO2 capacity and/or reduced heat of regeneration. However, recent results show that phase equilibria, transport properties (e.g., viscosity, diffusion coefficients, etc.) and other thermophysical properties (e.g., heat capacity, density, etc.) could have a significant effect on the price of the carbon. In this context, we focused our research on the phase behavior of physical solvents for carbon dioxide capture. We studied the phase behavior of carbon dioxide and different classes of organic substances, to illustrate the functional group effect on the solvent ability to dissolve CO2. In this chapter, we explain the role of phase equilibria in carbon capture and storage. We describe an experimental setup to measure phase equilibria at high-pressures and working procedures for both phase equilibria and critical points. As experiments are usually expensive and very time consuming, we present briefly basic modeling of phase behavior using cubic equations of state. Phase diagrams for binary systems at high-pressures and their construction are explained. Several examples of phase behavior of carbon dioxide + different classes of organic substances binary systems at high-pressures with potential role in CCS are shown. Predictions of the global phase diagrams with different models are compared with experimental literature data.

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“…In the last years, our research focused on investigating phase behaviour of systems of interest for carbon capture and storage. Thus, we investigated the phase behaviour of carbon dioxide + different alkanes, [4][5][6] + several alcohols, [7][8][9][10][11] + ethers, 12,13 or + esthers binary mixtures at high-pressures. Here we report phase equilibrium data for the ternary system carbon dioxide (1) + cyclopentane (2) + cyclohexane (3) at 353.15 K and pressures up to 117 bar.…”

Section: Introduction *mentioning

confidence: 99%

Phase equilibria for the carbon dioxide + cyclopentane + cyclohexane system at high pressures

Ioniţă¹,

Sima²,

Cismondi³

et al. 2021

Rev.Roum.Chim.

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Isothermal vapor–liquid equilibrium measurements for the ternary mixture carbon dioxide + cyclopentane + cyclohexane at 353.15 K are reported. Phase equilibrium measurements were made in a high-pressure visual cell with variable volume using a static-analytical method with phases sampling by rapid online sample injectors (ROLSI) coupled to a gas chromatograph (GC) for analysis. The new measured data were modelled with the RK–PR equation of state (EoS) coupled with classical van der Waals (two-parameter conventional mixing rule, 2PCMR).

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High pressures phase equilibria of (carbon dioxide + 1-undecanol) system and their potential role in carbon capture and storage

Cited by 16 publications

References 21 publications

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

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

Phase Equilibria for Carbon Capture and Storage

Phase equilibria for the carbon dioxide + cyclopentane + cyclohexane system at high pressures

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