Thermodynamic modeling of the vapor-liquid equilibrium of the CO2/H2O mixture

Pappa, GD; Perakis, C; Tsimpanogiannis, IN; Voutsas, EC

dc.contributor.author	Pappa, GD	en
dc.contributor.author	Perakis, C	en
dc.contributor.author	Tsimpanogiannis, IN	en
dc.contributor.author	Voutsas, EC	en
dc.date.accessioned	2014-03-01T01:32:12Z
dc.date.available	2014-03-01T01:32:12Z
dc.date.issued	2009	en
dc.identifier.issn	0378-3812	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/20073
dc.subject	Carbon dioxide	en
dc.subject	Equation of state	en
dc.subject	Sequestration	en
dc.subject	Vapor-liquid equilibria	en
dc.subject	Water	en
dc.subject.classification	Thermodynamics	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Aqueous phase	en
dc.subject.other	Cubic plus associations	en
dc.subject.other	Equation of state	en
dc.subject.other	Experimental data	en
dc.subject.other	Fluid mixing rule	en
dc.subject.other	Geological formation	en
dc.subject.other	Higher temperatures	en
dc.subject.other	Hydrogen bonding interactions	en
dc.subject.other	Mixing rules	en
dc.subject.other	Model parameters	en
dc.subject.other	Mutual solubility	en
dc.subject.other	Peng-Robinson equation of state	en
dc.subject.other	Repulsive forces	en
dc.subject.other	Rich phase	en
dc.subject.other	Sequestration	en
dc.subject.other	Thermodynamic modeling	en
dc.subject.other	Three models	en
dc.subject.other	Two-temperature	en
dc.subject.other	Van der waals	en
dc.subject.other	Vapor-liquid equilibria	en
dc.subject.other	Vapor-liquid equilibrium	en
dc.subject.other	Association reactions	en
dc.subject.other	Binary mixtures	en
dc.subject.other	Carbon dioxide	en
dc.subject.other	Hydrogen	en
dc.subject.other	Hydrogen bonds	en
dc.subject.other	Liquids	en
dc.subject.other	Phase equilibria	en
dc.subject.other	Solubility	en
dc.subject.other	Ternary systems	en
dc.subject.other	Van der Waals forces	en
dc.subject.other	Water vapor	en
dc.subject.other	Equations of state of liquids	en
dc.title	Thermodynamic modeling of the vapor-liquid equilibrium of the CO2/H2O mixture	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.fluid.2009.06.011	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.fluid.2009.06.011	en
heal.language	English	en
heal.publicationDate	2009	en
heal.abstract	In order to evaluate the feasibility Of CO2 sequestration in geological formations detailed knowledge of the mutual solubilities of the CO2/H2O system is required. In this work we employ three models, which all involve the well-known Peng-Robinson equation of state, to Study the CO2/H2O phase equilibrium, with emphasis on the solubility of CO2 in the aqueous phase and the Solubility of H2O in the CO2-rich phase. The considered models include the Peng-Robinson equation of state coupled with the conventional van der Waals one fluid mixing rules or the universal mixing rules, and the cubic-plus-association equation of state that uses the Peng-Robinson equation of state in order to account for the usual attractive and repulsive forces and an extra association term to account for the strong hydrogen bonding interactions. The required model parameters are calibrated using experimental data up to 1500 bar for pressure, and up to 673 K for temperature. To improve the accuracy of the proposed models we consider two temperature ranges. Temperatures lower than 373 K are of interest to the geological CO2 sequestration, while higher temperatures are of interest to fluid-inclusion studies. Good agreement is obtained between the experimental and the correlated solubilities. (C) 2009 Elsevier B.V. All rights reserved.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	Fluid Phase Equilibria	en
dc.identifier.doi	10.1016/j.fluid.2009.06.011	en
dc.identifier.isi	ISI:000269293500010	en
dc.identifier.volume	284	en
dc.identifier.issue	1	en
dc.identifier.spage	56	en
dc.identifier.epage	63	en