Standard partial molal properties of aqueous alkylphenols at high pressures and temperatures

J. D. Dale, Everett Shock, G. MacLeod, A. C. Aplin, S. R. Larter

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

Potential influences on the distribution of alkylphenols in oilfield waters include simple partitioning between oil, water, and solid phases, generation of alkylphenols during kerogen maturation in source rocks, and reactions at the oil-water interface in the oil reservoir. Assessment of whether reactions at the oil-water interface influence phenol distributions in basinal aqueous waters requires thermodynamic properties of the aqueous alkylphenols. In this study we have calculated standard partial molal thermodynamic properties of aqueous phenol and cresols at 25°C and estimated standard partial molal thermodynamic properties of aqueous xylenols at 25°C. These thermodynamic properties (Gibbs free energy, enthalpy, entropy, heat capacity, and volume) together with estimated coefficients for the revised Helgeson-Kirkham-Flowers (HKF) equations of state allow prediction of thermodynamic properties of reactions involving these species at high temperatures and pressures. Computed logarithmic equilibrium constants (log K) for hydration reactions involving alkylphenol are in close agreement with log K values calculated from published experimental data (Dohnal and Fenclova, 1995). Resulting thermodynamic properties may be used together with analytical results, to assess whether metastable equilibrium is a major influence on the abundance and distribution of alkylphenols in petroleum and associated water.

Original languageEnglish (US)
Pages (from-to)4017-4024
Number of pages8
JournalGeochimica et Cosmochimica Acta
Volume61
Issue number19
StatePublished - Oct 1997
Externally publishedYes

Fingerprint

thermodynamic property
Thermodynamic properties
Water
Oils
oil
Phenol
water
Temperature
phenol
Cresols
Kerogen
Gibbs free energy
heat capacity
Equilibrium constants
Petroleum
kerogen
enthalpy
Equations of state
hydration
equation of state

ASJC Scopus subject areas

  • Geochemistry and Petrology

Cite this

Standard partial molal properties of aqueous alkylphenols at high pressures and temperatures. / Dale, J. D.; Shock, Everett; MacLeod, G.; Aplin, A. C.; Larter, S. R.

In: Geochimica et Cosmochimica Acta, Vol. 61, No. 19, 10.1997, p. 4017-4024.

Research output: Contribution to journalArticle

Dale, J. D. ; Shock, Everett ; MacLeod, G. ; Aplin, A. C. ; Larter, S. R. / Standard partial molal properties of aqueous alkylphenols at high pressures and temperatures. In: Geochimica et Cosmochimica Acta. 1997 ; Vol. 61, No. 19. pp. 4017-4024.
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