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Title: Linear relationships for modeling CO2 absorption in aqueous alkanolamine solutions in a thermodynamically consistent way

Journal Article · · AIChE Journal
DOI: https://doi.org/10.1002/aic.17623 · OSTI ID:2274760
ORCiD logo [1];  [1];  [1];  [1]
  1. University of Kentucky, Lexington, KY (United States)
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A thermodynamically consistent model for the carbon dioxide (CO2) absorption in aqueous alkanolamine system is of great importance in the research and development of a CO2 capture process. To facilitate the development of thermodynamic models, linear Gibbs free energy, enthalpy, and heat capacity relationships using well-known amines as reference are used to correlate the standard reference state properties of ionic species with those of molecular species in the electrolyte system, which has been approved to provide a reliable and consistent way to estimate required parameters when there is minimal or no appropriate experimental data available. Here, the proposed relationships have been applied to the development of an electrolyte nonrandom two liquid (NRTL) activity coefficient model for CO2 absorption in aqueous 1-amino-2-propanol (A2P) solution, as an example to demonstration the methodology. With limited vapor–liquid equilibrium data and other thermodynamic properties, the parameters in the electrolyte NRTL model are identified with good accuracy.

Research Organization:
Univ. of Kentucky, Lexington, KY (United States)
Sponsoring Organization:
USDOE Office of Fossil Energy (FE), Clean Coal and Carbon Management
Grant/Contract Number:
FE0031733
OSTI ID:
2274760
Journal Information:
AIChE Journal, Vol. 68, Issue 5; ISSN 0001-1541
Publisher:
American Institute of Chemical EngineersCopyright Statement
Country of Publication:
United States
Language:
English

References (29)

Thermodynamic modeling of CO2 and H2S solubilities in aqueous DIPA solution, aqueous sulfolane–DIPA solution, and aqueous sulfolane–MDEA solution with electrolyte NRTL model journal July 2011
Application of the Perturbed-Chain SAFT Equation of State to Associating Systems journal October 2002
A linear free energy relationship for crystalline solids and aqueous ions journal March 1992
Thermodynamic modeling for CO2 absorption in aqueous MEA solution with electrolyte NRTL model journal December 2011
Thermodynamic Modeling for CO2 Absorption in Aqueous MDEA Solution with Electrolyte NRTL Model journal August 2010
Dissociation constants and thermodynamic properties of alkanolamines journal February 2009
Part 5c: Solvent chemistry: solubility of CO2in reactive solvents for post-combustion CO2 journal October 2012
The Effect of Structure upon the Reactions of Organic Compounds. Benzene Derivatives journal January 1937
Estimation of Pure-Component Properties from Group-Contributions journal July 1987
Refined electrolyte-NRTL model: Activity coefficient expressions for application to multi-electrolyte systems journal January 2008
Perturbed-Chain SAFT:  An Equation of State Based on a Perturbation Theory for Chain Molecules journal February 2001
Modeling of vapor–liquid–solid equilibrium in gas–aqueous electrolyte systems journal June 1999
Generalized electrolyte-NRTL model for mixed-solvent electrolyte systems journal January 2004
Thermodynamic modeling of CO2 solubility in aqueous solutions of NaCl and Na2SO4 journal December 2010
(Vapour+liquid) equilibria (VLE) of CO2 in aqueous solutions of 2-amino-2-methyl-1-propanol: New data and modelling using eNRTL-equation journal August 2011
Thermodynamic Modeling of the NH 3 –CO 2 –H 2 O System with Electrolyte NRTL Model journal October 2011
Molar excess enthalpy for various {alkanolamine (1)+water (2)} systems at T=(298.15, 313.15, and 323.15)K journal November 2007
Linear Free Energy Relationships. journal April 1963
Symmetric Electrolyte Nonrandom Two-Liquid Activity Coefficient Model journal August 2009
Correspondling states correlations for liquid compressibility and partial molal volumes of gases at infinite dilution in liquids journal November 1972
Equilibrium solubility of CO2 in aqueous solutions of 1-amino-2-propanol as function of concentration, temperature, and pressure journal May 2011
The Equilibrium Solubility of Carbon Dioxide in Aqueous Solutions of Morpholine: Experimental Data and Thermodynamic Modeling journal March 2013
Thermodynamics of electrolytes. I. Theoretical basis and general equations journal January 1973
Local composition model for excess Gibbs energy of electrolyte systems. Part I: Single solvent, single completely dissociated electrolyte systems journal July 1982
Calculation of vapour-liquid equilibria in mixed solvent/salt systems using an extended UNIQUAC equation journal January 1986
Role of solvents in CO2 capture processes: The review of selection and design methods journal October 2019
Model of vapor-liquid equilibria for aqueous acid gas-alkanolamine systems using the electrolyte-NRTL equation journal July 1989
Additivity rules for the estimation of thermochemical properties journal June 1969
A local composition model for the excess Gibbs energy of aqueous electrolyte systems journal March 1986

Figures / Tables (21)

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Vapor-liquid equilibrium
CO2 capture
Electrolyte NRTL model
Alkanolamine
Linear relationships