Organic acids in hydrothermal solutions: standard molal thermodynamic properties of carboxylic acids and estimates of dissociation constants at high temperatures and pressures.

Research output: Contribution to journalArticle

162 Citations (Scopus)

Abstract

Experimental standard partial molal volumes, heat capacities, and entropies as well as apparent standard partial molal enthalpies and Gibbs free energies of mono- and dicarboxylic acids and their anions at low temperatures and pressures are used to generate correlations for predicting the same properties at high temperatures and pressures for 59 carboxylic and 18 hydroxyacid species with the revised Helgeson-Kirkham-Flowers (HKF) equation of state. Predicted equilibrium dissociation constants are compared with experimental values from the literature and tabulated as functions of pressure and temperature for 25 carboxylic acids and nine hydroxyacids. Close agreement between independent predictions and experimental data supports the generality of the computational techniques and the accuracy of predicted data. These results allow incorporation of a wide variety of organic acids into quantitative interpretations of geochemical processes.

Original languageEnglish (US)
Pages (from-to)496-580
Number of pages85
JournalAmerican Journal of Science
Volume295
Issue number5
StatePublished - May 1995
Externally publishedYes

Fingerprint

thermodynamic property
carboxylic acid
organic acid
Gibbs free energy
heat capacity
enthalpy
equation of state
entropy
low pressure
anion
flower
acid
prediction
temperature
incorporation

ASJC Scopus subject areas

  • Earth and Planetary Sciences (miscellaneous)

Cite this

@article{e40b2049cdc741a7ba5b88e60292ee5e,
title = "Organic acids in hydrothermal solutions: standard molal thermodynamic properties of carboxylic acids and estimates of dissociation constants at high temperatures and pressures.",
abstract = "Experimental standard partial molal volumes, heat capacities, and entropies as well as apparent standard partial molal enthalpies and Gibbs free energies of mono- and dicarboxylic acids and their anions at low temperatures and pressures are used to generate correlations for predicting the same properties at high temperatures and pressures for 59 carboxylic and 18 hydroxyacid species with the revised Helgeson-Kirkham-Flowers (HKF) equation of state. Predicted equilibrium dissociation constants are compared with experimental values from the literature and tabulated as functions of pressure and temperature for 25 carboxylic acids and nine hydroxyacids. Close agreement between independent predictions and experimental data supports the generality of the computational techniques and the accuracy of predicted data. These results allow incorporation of a wide variety of organic acids into quantitative interpretations of geochemical processes.",
author = "Everett Shock",
year = "1995",
month = "5",
language = "English (US)",
volume = "295",
pages = "496--580",
journal = "American Journal of Science",
issn = "0002-9599",
publisher = "Yale University",
number = "5",

}

TY - JOUR

T1 - Organic acids in hydrothermal solutions

T2 - standard molal thermodynamic properties of carboxylic acids and estimates of dissociation constants at high temperatures and pressures.

AU - Shock, Everett

PY - 1995/5

Y1 - 1995/5

N2 - Experimental standard partial molal volumes, heat capacities, and entropies as well as apparent standard partial molal enthalpies and Gibbs free energies of mono- and dicarboxylic acids and their anions at low temperatures and pressures are used to generate correlations for predicting the same properties at high temperatures and pressures for 59 carboxylic and 18 hydroxyacid species with the revised Helgeson-Kirkham-Flowers (HKF) equation of state. Predicted equilibrium dissociation constants are compared with experimental values from the literature and tabulated as functions of pressure and temperature for 25 carboxylic acids and nine hydroxyacids. Close agreement between independent predictions and experimental data supports the generality of the computational techniques and the accuracy of predicted data. These results allow incorporation of a wide variety of organic acids into quantitative interpretations of geochemical processes.

AB - Experimental standard partial molal volumes, heat capacities, and entropies as well as apparent standard partial molal enthalpies and Gibbs free energies of mono- and dicarboxylic acids and their anions at low temperatures and pressures are used to generate correlations for predicting the same properties at high temperatures and pressures for 59 carboxylic and 18 hydroxyacid species with the revised Helgeson-Kirkham-Flowers (HKF) equation of state. Predicted equilibrium dissociation constants are compared with experimental values from the literature and tabulated as functions of pressure and temperature for 25 carboxylic acids and nine hydroxyacids. Close agreement between independent predictions and experimental data supports the generality of the computational techniques and the accuracy of predicted data. These results allow incorporation of a wide variety of organic acids into quantitative interpretations of geochemical processes.

UR - http://www.scopus.com/inward/record.url?scp=0028976031&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0028976031&partnerID=8YFLogxK

M3 - Article

C2 - 11540132

AN - SCOPUS:0028976031

VL - 295

SP - 496

EP - 580

JO - American Journal of Science

JF - American Journal of Science

SN - 0002-9599

IS - 5

ER -