Thermodynamic Analysis for Synthesis of Advanced Materials

Liu, C.; Ji, Y.; Shao, Q.; Feng, X.; Lu, X.

doi:10.1007/430_2008_4

Cited by 5 publications

(7 citation statements)

References 103 publications

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“…In this case, chemical potential gradient should be used as the driving force. Our previous work based on non-equilibrium thermodynamics [21][22][23] also reveals that it is necessary to consider the non-ideality of such complex systems.…”

Section: Introductionmentioning

confidence: 99%

Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient

Lü

et al. 2013

Sci. China Chem.

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To investigate long-term CO 2 behavior in geological formations and quantification of possible CO 2 leaks, it is crucial to investigate the potential mobility of CO 2 dissolved in brines over a wide range of spatial and temporal scales and density distributions in geological media. In this work, the mass transfer of aqueous CO 2 in brines has been investigated by means of a chemical potential gradient model based on non-equilibrium thermodynamics in which the statistical associating fluid theory equation of state was used to calculate the fugacity coefficient of CO 2 in brine. The investigation shows that the interfacial concentration of aqueous CO 2 and the corresponding density both increase with increasing pressure and decreasing temperature; the effective diffusion coefficients decrease initially and then increase with increasing pressure; and the density of the CO 2 -disolved brines increases with decreasing CO 2 pressure in the CO 2 dissolution process. The aqueous CO 2 concentration profiles obtained by the chemical potential gradient model are considerably different from those obtained by the concentration gradient model, which shows the importance of considering non-ideality, especially when the pressure is high.

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Section: Introductionmentioning

confidence: 99%

Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient

Lü

et al. 2013

Sci. China Chem.

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“…Based on our previous work of linear non-equilibrium thermodynamic investigations on the dissolution and crystallization kinetics of potassium inorganic compounds [31][32][33], in this paper, the kinetic process of CO 2 absorption by ionic liquids is assumed to comprise two steps: surface reaction and diffusion, which is shown in Figure 1. As shown in Figure 1, when CO 2 in the vapor phase and the ionic liquids are in contact, for the chemical absorption process of CO 2 by ionic liquids in the first step, the chemical reaction of CO 2 with ionic liquids takes place, which is called the surface reaction layer; for the physical absorption process of CO 2 by ionic liquids in the first step, CO 2 in the vapor phase will be transferred into the ionic liquid phase, which could also be called the assumed "surface reaction layer".…”

Section: Model Description Of Co 2 Absorption By Ionic Liquidsmentioning

confidence: 99%

“…The non-equilibrium thermodynamic model of CO 2 absorption kinetics by ionic liquids could be investigated on the basis of the schematic diagram of CO 2 absorption kinetics process by ionic liquids shown in Figure 1 and our previous linear non-equilibrium thermodynamic investigations on the dissolution and crystallization kinetics of potassium inorganic compounds [31][32][33]. In this paper, the surface reaction rate and diffusion rate will be described using the linear non-equilibrium thermodynamic theory.…”

Section: Non-equilibrium Thermodynamic Model Of Co 2 Absorption By Iomentioning

confidence: 99%

“…In this paper, three key scientific problems of non-equilibrium thermodynamic investigations on CO 2 absorption kinetics by ionic liquids are proposed on the basis of the non-equilibrium thermodynamic model of CO 2 absorption kinetics by ionic liquids as described in Section 2.2 and our previous linear non-equilibrium thermodynamic investigations on the dissolution and crystallization kinetics of potassium inorganic compounds [31][32][33]. These problems are shown as follows.…”

Section: Key Scientific Problems Of Non-equilibrium Thermodynamic Invmentioning

confidence: 99%

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Methodology of non-equilibrium thermodynamics for kinetics research of CO2 capture by ionic liquids

Lü

Feng

et al. 2012

Sci. China Chem.

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In this paper, the methodology of non-equilibrium thermodynamics is introduced for kinetics research of CO 2 capture by ionic liquids, and the following three key scientific problems are proposed to apply the methodology in kinetics research of CO 2 capture by ionic liquids: reliable thermodynamic models, interfacial transport rate description and accurate experimental flux. The obtaining of accurate experimental flux requires reliable experimental kinetics data and the effective transport area in the CO 2 capture process by ionic liquids. Research advances in the three key scientific problems are reviewed systematically and further work is analyzed. Finally, perspectives of non-equilibrium thermodynamic research of the kinetics of CO 2 capture by ionic liquids are proposed. ionic liquids, CO 2 capture, non-equilibrium thermodynamics, interfacial transport rate, nanobubble, statistical rate theory

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“…So the driving force for solute fluxes is not the concentration gradient, but the chemical potential gradient [17,18] . Our previous work [19,20] also reveals that it is necessary to consider the non-ideality of the complicated systems. Therefore, on the basis of the work by Yang and Gu [5] , the mass transfer of CO 2 in brines is investigated by chemical potential gradient model [21] based on derivation of ∂a i /∂t (a i is the activity of species i).…”

Section: Introductionmentioning

confidence: 99%

Coupling Mass Transfer with Mineral Reactions to Investigate CO₂ Sequestration in Saline Aquifers With Non-Equilibrium thermodynamics

Ji¹,

Ji²,

Lu³

et al. 2011

Linköping Electronic Conference Proceedings

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Abstract:The coupling behaviors of mass transfer of aqueous CO 2 with mineral reactions of aqueous CO 2 with rock anorthite are investigated by chemical potential gradient and concentration gradient models, respectively. SAFT1-RPM is used to calculate the fugacity of CO 2 in brine. The effective diffusion coefficients of CO 2 are obtained based on the experimental kinetic data reported in literature. The calculation results by the two models and for two cases (mass transfer only and coupling mass transfer with mineral reaction) are compared. The results show that there are considerable discrepancies for the concentration distribution with distance by the concentration gradient and chemical potential gradient models, which implies the importance of consideration of the non-ideality. And the concentrations of aqueous CO 2 at different distances by the concentration gradient model are higher and further than that by the chemical potential gradient model. The mineral reaction plays a considerable role for the CO 2 geological sequestration when the time scale reaches 10 years for the anorthite case.

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Thermodynamic Analysis for Synthesis of Advanced Materials

Cited by 5 publications

References 103 publications

Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient

Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient

Methodology of non-equilibrium thermodynamics for kinetics research of CO2 capture by ionic liquids

Coupling Mass Transfer with Mineral Reactions to Investigate CO₂ Sequestration in Saline Aquifers With Non-Equilibrium thermodynamics

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Thermodynamic Analysis for Synthesis of Advanced Materials

Cited by 5 publications

References 103 publications

Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient

Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient

Methodology of non-equilibrium thermodynamics for kinetics research of CO2 capture by ionic liquids

Coupling Mass Transfer with Mineral Reactions to Investigate CO2 Sequestration in Saline Aquifers With Non-Equilibrium thermodynamics

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Product

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Coupling Mass Transfer with Mineral Reactions to Investigate CO₂ Sequestration in Saline Aquifers With Non-Equilibrium thermodynamics