Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: Correlation algorithms for ionic species and equation of state predictions to 5 kb and 1000 degree C

Journal Article · Mon Aug 01 00:00:00 EDT 1988 · Geochimica et Cosmochimica Acta; (USA)

DOI:https://doi.org/10.1016/0016-7037(88)90181-0· OSTI ID:7164094

Shock, E L; Helgeson, H C ^[1]

---

1. Univ. of California, Berkeley (USA)

Correlation algorithms permit prediction of species-dependent parameters in revised equations of state for aqueous ions and electrolytes which can be used together with values at 25{degree}C and 1 bar of the standard partial molal entropies ({anti S}{sup 0}), volumes ({anti V}{sup 0}), and heat capacities ({anti C}{sub P}{sup 0}) of the ions to calculate their standard partial molal thermodynamic properties at pressures and temperatures to 5 kb and 1000{degree}C. Values of {anti V}{sup 0} and {anti C}{sub P}{sup 0} at 25{degree}C and 1 bar have been calculated for 128 aqueous ions from analysis of published experimental data or from correlations of these properties with {anti S}{sup 0}. Equation of state parameters have also been generated for these ions and examples are given of predicted standard partial molal thermodynamic properties of representative cations and anions at high pressures and temperatures. Close agreement between independently predicted and experimentally determined equilibrium constants for acid anion dissociation reactions at high temperatures supports the validity and generality of the predictive algorithms.

• OSTI ID: 7164094
• Journal Information: Geochimica et Cosmochimica Acta; (USA), Vol. 52:8; ISSN 0016-7037
• Country of Publication: United States
• Language: English

Related Subjects

58 GEOSCIENCES
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ELECTROLYTES
CHEMICAL REACTION KINETICS
EQUATIONS OF STATE
THERMODYNAMIC PROPERTIES
ALGORITHMS
CHEMICAL REACTIONS
ENTROPY
EXPERIMENTAL DATA
GEOCHEMISTRY
HEAT TRANSFER
ION EXCHANGE
IONIC COMPOSITION
MASS TRANSFER
PRESSURE EFFECTS
SOLUTIONS
SPECIFIC HEAT
TEMPERATURE EFFECTS
CHEMISTRY
DATA
DISPERSIONS
ENERGY TRANSFER
EQUATIONS
INFORMATION
KINETICS
MATHEMATICAL LOGIC
MIXTURES
NUMERICAL DATA
PHYSICAL PROPERTIES
REACTION KINETICS
580000* - Geosciences
400200 - Inorganic
Organic
& Physical Chemistry