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 04:00:00 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]

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

Related Subjects

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