Experimental and Modeling Study of the Phase Behavior of (Heptane plus Carbon Dioxide plus Water) Mixtures
File(s)acs%2Ejced%2E5b00618.pdf (3.12 MB) Heptane + CO2 + Water - Accepted.pdf (1.08 MB)
Published version
Accepted version
Author(s)
Al Ghafri, SZS
Forte, E
Galindo, A
Maitland, GC
Trusler, JPM
Type
Journal Article
Abstract
We report experimental measurements of
three-phase equilibria in the system (heptane + carbon dioxide
+ water) obtained with a quasi-static analytical apparatus with
compositional analysis by means of gas chromatography. The
apparatus was calibrated by an absolute area method and the
whole measurement system was validated by means of
comparison with the published literature data of the system
(heptane + carbon dioxide). The compositions of the three
phases coexisting in equilibrium were measured along five
isotherms at temperatures from (323.15 to 413.15) K with
pressures ranging from approximately 2 MPa to the upper
critical end point pressure at which the two nonaqueous
phases became critical. The experimental results have been compared with the predictions of the statistical associating fluid
theory for potentials of variable range. The unlike binary interaction parameters used here are consistent with a previous study for
a ternary mixture of a different n-alkane, while the alkane−water binary interaction parameter is found to be transferable and the
alkane−carbon dioxide binary interaction parameter is predicted using a modified Hudson-McCoubrey combining rule.
Generally, good agreement between experiment and theory was found
three-phase equilibria in the system (heptane + carbon dioxide
+ water) obtained with a quasi-static analytical apparatus with
compositional analysis by means of gas chromatography. The
apparatus was calibrated by an absolute area method and the
whole measurement system was validated by means of
comparison with the published literature data of the system
(heptane + carbon dioxide). The compositions of the three
phases coexisting in equilibrium were measured along five
isotherms at temperatures from (323.15 to 413.15) K with
pressures ranging from approximately 2 MPa to the upper
critical end point pressure at which the two nonaqueous
phases became critical. The experimental results have been compared with the predictions of the statistical associating fluid
theory for potentials of variable range. The unlike binary interaction parameters used here are consistent with a previous study for
a ternary mixture of a different n-alkane, while the alkane−water binary interaction parameter is found to be transferable and the
alkane−carbon dioxide binary interaction parameter is predicted using a modified Hudson-McCoubrey combining rule.
Generally, good agreement between experiment and theory was found
Date Issued
2015-12-01
Date Acceptance
2015-10-16
Citation
Journal of Chemical and Engineering Data, 2015, 60 (12), pp.3670-3681
ISSN
1520-5134
Publisher
American Chemical Society
Start Page
3670
End Page
3681
Journal / Book Title
Journal of Chemical and Engineering Data
Volume
60
Issue
12
Copyright Statement
© 2015 American Chemical Society. ACS AuthorChoice - This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
License URL
Sponsor
Commission of the European Communities
Qatar Shell Research and Technology Center QSTP LLC
Grant Number
282789
490000724
Subjects
Science & Technology
Physical Sciences
Technology
Thermodynamics
Chemistry, Multidisciplinary
Engineering, Chemical
Chemistry
Engineering
EQUATION-OF-STATE
DIRECTIONAL ATTRACTIVE FORCES
SAFT-VR APPROACH
ASSOCIATING FLUID THEORY
VAPOR-LIQUID-EQUILIBRIA
THERMODYNAMIC PERTURBATION-THEORY
N-ALKANE MIXTURES
VAN-DER-WAALS
HIGH-PRESSURE
BINARY-MIXTURES
Publication Status
Published