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Modeling infinite dilution and Fickian diffusion coefficients of carbon dioxide in water
Author(s) -
Mutoru J. Wambui,
LeahyDios Alana,
Firoozabadi Abbas
Publication year - 2011
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.12361
Subject(s) - dilution , polarizability , diffusion , thermodynamics , chemistry , fick's laws of diffusion , carbon dioxide , moment (physics) , dipole , constant (computer programming) , range (aeronautics) , binary number , ambipolar diffusion , analytical chemistry (journal) , materials science , chromatography , physics , organic chemistry , mathematics , arithmetic , plasma , classical mechanics , quantum mechanics , molecule , computer science , composite material , programming language
We propose a new model for calculating infinite dilution diffusion coefficients for carbon dioxide and water mixtures. The model takes into account temperature dependence of the dipole moment of water and polarizability of CO 2 , and fits experimental CO 2 H 2 O data at low and high pressures with an accuracy of 4.9%. Remarkably, the proposed model also accurately predicts infinite dilution diffusion coefficients for other binary water mixtures where solute polarizability is close to that of CO 2 , such as CH 4 , C 2 H 6 , C 3 H 8 , and H 2 S. Moreover, we present—to the best of our knowledge—the first predictions of composition‐based Fickian diffusion coefficients for CO 2 H 2 O mixtures over the temperature range 298.15–413.15 K, and pressures up to 50 MPa. © 2010 American Institute of Chemical Engineers AIChE J, 2011