Journal ArticleDOI
Prediction of vapor-liquid equilibrium and PVTx properties of geological fluid system with SAFT-LJ EOS including multi-polar contribution. Part I: Application to H2O-CO2 system
Rui Sun,Jean Dubessy +1 more
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TLDR
In this article, the SAFT-LJ EOS is defined in terms of the residual molar Helmholtz energy, which is a sum of four terms representing the contributions from LJ segment-segment interactions, chain-forming among the LJ segments, short-range associations and long-range multi-polar interactions.About:
This article is published in Geochimica et Cosmochimica Acta.The article was published on 2010-04-01. It has received 74 citations till now. The article focuses on the topics: Vapor–liquid equilibrium & Binary system.read more
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Review of pre-combustion capture and ionic liquid in carbon capture and storage
TL;DR: In this article, the authors review the carbon dioxide separation technologies and those related to ionic liquid (IL) in pre-combustion capture, pre-caption capture research progress, pilot plant and commercial facilities, as well as modelling approach with special focus on the computer-aided molecular design (CAMD).
Journal ArticleDOI
Determination of diffusion coefficients of carbon dioxide in water between 268 and 473 K in a high-pressure capillary optical cell with in situ Raman spectroscopic measurements
TL;DR: In this paper, the diffusion coefficients of carbon dioxide in water at different temperatures and pressures were estimated by the least squares method for the measured variations in carbon dioxide concentration in the cell at various sample positions and time.
Journal ArticleDOI
Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range
Jens M.A. Schreckenberg,Simon Dufal,Andrew J. Haslam,Claire S. Adjiman,George Jackson,Amparo Galindo +5 more
TL;DR: In this article, an improved formulation of the extension of the statistical associating fluid theory for potentials of variable range to electrolytes (SAFT-VRE) is presented, incorporating a representation for the dielectric constant of the solution that takes into account the temperature, density and composition of the solvent.
Journal ArticleDOI
Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry
Vasileios Papaioannou,Filipe Calado,Thomas Lafitte,Simon Dufal,Majid Sadeqzadeh,George Jackson,Claire S. Adjiman,Amparo Galindo +7 more
TL;DR: Papaioannou et al. as mentioned in this paper applied the SAFT-γ Mie group contribution approach to the study of a range of systems of relevance to the oil and gas industry.
Journal ArticleDOI
Review and new insights into the application of molecular-based equations of state to water and aqueous solutions
Lourdes F. Vega,Fèlix Llovell +1 more
TL;DR: Several theoretical approaches have been developed over the last 25 years to reproduce the physics of water solutions with different degrees of success, depending on the underlying accuracy of the models as mentioned in this paper, although there is still room for improvement.
References
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Journal ArticleDOI
A New Two-Constant Equation of State
Ding-Yu Peng,Donald B. Robinson +1 more
TL;DR: In this paper, the attractive pressure term of the semi-empirical van der Waals equation has been modified for predicting the vapor pressure and volumetric behavior of singie-component systems.
Book
Numerical Recipes in FORTRAN
TL;DR: The Diskette v 2.04, 3.5'' (720k) for IBM PC, PS/2 and compatibles [DOS] Reference Record created on 2004-09-07, modified on 2016-08-08.
Journal ArticleDOI
Equilibrium constants from a modified Redlich-Kwong equation of state
TL;DR: In this article, a modified Redlich-Kwong equation of state is proposed, which can be extended successfully to multicomponent-VLE calculations for mixtures of nonpolar substances, with the exclusion of carbon dioxide.
Journal ArticleDOI
Equation of State for Nonattracting Rigid Spheres
TL;DR: In this paper, a new equation of state for rigid spheres has been developed from an analysis of the reduced virial series, which possesses superior ability to describe rigid-sphere behavior compared with existing equations.
Book
Molecular Thermodynamics of Fluid-Phase Equilibria
TL;DR: In this article, the authors introduce the notion of uniformity of intensive potentials as a criterion of phase equilibrium, and propose a model for solubilities of solids in liquid mixtures.