2015
DOI: 10.1002/aic.14829
|View full text |Cite
|
Sign up to set email alerts
|

Abstract: Despite great efforts over the past decades, thermodynamic modeling of electrolytes in mixed solvents is still a challenge today. The existing modeling frameworks based on activity coefficient models are data‐driven and require expert knowledge to be parameterized. It has been suggested that the predictive capabilities could be improved through the development of an electrolyte equation of state. In this work, the Cubic Plus Association (CPA) Equation of State is extended to handle mixtures containing electrol… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

3
217
1

Year Published

2016
2016
2022
2022

Publication Types

Select...
8

Relationship

1
7

Authors

Journals

citations
Cited by 94 publications
(221 citation statements)
references
References 74 publications
3
217
1
Order By: Relevance
“…Deviation from experimental data at low temperature is relatively high, especially at ambient condition while it decreases as temperature increases. The experimental infinite dilution heat capacity of aqueous NaCl solution at ambient condition is about −85 J/mol K while it was predicted about −340 J/mol K by M‐Mogensen et al using electrolyte CPA EOS . In this work it was predicted −10 J/mol K, however this result is not surprising but reveals that present work gives acceptable results.…”
Section: Resultscontrasting
confidence: 50%
“…Deviation from experimental data at low temperature is relatively high, especially at ambient condition while it decreases as temperature increases. The experimental infinite dilution heat capacity of aqueous NaCl solution at ambient condition is about −85 J/mol K while it was predicted about −340 J/mol K by M‐Mogensen et al using electrolyte CPA EOS . In this work it was predicted −10 J/mol K, however this result is not surprising but reveals that present work gives acceptable results.…”
Section: Resultscontrasting
confidence: 50%
“…In order to quantitatively describe the LLE data of water/1-butanol/glycerol/salt, the binary interaction parameters between water and glycerol, 1-butanol and glycerol, as well as NaCl and glycerol were correlated to the respective LLE data of that quaternary system. The application of thermodynamic approaches to model LLE containing electrolytes has been reviewed by Wang et al [23], and the reader is also referred to some other works [24,25].…”
Section: Accepted Manuscriptmentioning
confidence: 99%
“…The arithmetic average of the solvated ion diameters σand σ + determines σ. To quantify the extent of cation solvation, we set σ + as the crystallographic diameter of the cation, σ + x (crystallographic is denoted with superscript x) plus a contribution from the solvent diameter (24) where is a sphericity factor accounting for how the solvent molecules orient around the cation and how tightly they bind to the cation. For a spherical solvent molecule that tightly binds to the cation, ω s = 1, while ω s = 0 when the cation is not solvated.…”
Section: Thermodynamic Backgroundmentioning
confidence: 99%