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 language | English (US) |
|---|---|
| Pages (from-to) | 4017-4024 |
| Number of pages | 8 |
| Journal | Geochimica et Cosmochimica Acta |
| Volume | 61 |
| Issue number | 19 |
| State | Published - Oct 1997 |
| Externally published | Yes |
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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 journal › Article
}
TY - JOUR
T1 - Standard partial molal properties of aqueous alkylphenols at high pressures and temperatures
AU - Dale, J. D.
AU - Shock, Everett
AU - MacLeod, G.
AU - Aplin, A. C.
AU - Larter, S. R.
PY - 1997/10
Y1 - 1997/10
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=0031407876&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0031407876
VL - 61
SP - 4017
EP - 4024
JO - Geochmica et Cosmochimica Acta
JF - Geochmica et Cosmochimica Acta
SN - 0016-7037
IS - 19
ER -