Development of an experimental data base and theories for prediction of thermodynamic properties of aqueous electrolytes and nonelectrolytes of geochemical significance at supercritical temperatures and pressures

Technical Report · Mon Feb 24 00:00:00 EST 1992

DOI:https://doi.org/10.2172/7079734· OSTI ID:7079734

Wood, R H; Hnedkovsky, L; Lin, Ching Lung ^[1]; Shock, E L ^[2]

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1. Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry
2. Washington Univ., St. Louis, MO (United States). Dept. of Earth and Planetary Sciences

This project is divided into method experimental measurements, theoretical development, and geochemical applications. We have completed experimental volumetric measurements on aqueous solutions of CO{sub 2} H{sub 2}S, CH{sub 4}, NH{sub 3} and B(OH){sub 3} at 25 to 432{degree}C and 280 and 350 bar. A vibrating tube densitometer that allows density measurements near bubble point and also measures the bubble pressure was developed and used to measure densities and bubble pressures of aqueous Co{sub 2}. Heat capacity measurements should be completed by the end of the grant period. Simulations of models for methane in water at temperatures to 1000{degrees}C are in progress. In order to facilitate these free energy calculations the possible errors associated with the calculations have been explored in two papers (Wood, 1991; Wood et al., 1991) and methods of controlling and estimating these errors have been developed. Applications of the new data to geochemical processes is now possible. Efforts have focussed on extracting equilibrium constants for carbonic acid dissociation at supercritical condition from published experiments on mineral equilibria in H{sub 2}0-CO{sub 2} fluids (Boehlke and Shock, 1990; and in prep.). As a result, estimates of pKa for carbonic acid are now available at temperatures from 300 to 750{degrees}C and pressures from 1 to 7 kilobars. They will be combined with {bar V}{sup {degree}} and {bar C}p{sup {degree}} data for CO{sup 2}(aq) to improve geochemical calculations.

• Research Organization: Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry
• Sponsoring Organization: USDOE; USDOE, Washington, DC (United States)
• DOE Contract Number: FG02-89ER14080
• OSTI ID: 7079734
• Report Number(s): DOE/ER/14080-3; ON: DE92040856
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
58 GEOSCIENCES
AMMONIA
THERMODYNAMIC PROPERTIES
BORIC ACID
CARBON DIOXIDE
CARBONIC ACID
HYDROGEN SULFIDES
METHANE
AQUEOUS SOLUTIONS
BUBBLES
DENSITY
FREE ENERGY
GEOCHEMISTRY
HIGH PRESSURE
HYDROTHERMAL SYSTEMS
PROGRESS REPORT
ROCK-FLUID INTERACTIONS
SOLUBILITY
TEMPERATURE RANGE 0400-1000 K
VERY HIGH PRESSURE
VOLUME
ALKANES
BORON COMPOUNDS
CARBON COMPOUNDS
CARBON OXIDES
CHALCOGENIDES
CHEMISTRY
DISPERSIONS
DOCUMENT TYPES
ENERGY
GEOTHERMAL SYSTEMS
HYDRIDES
HYDROCARBONS
HYDROGEN COMPOUNDS
INORGANIC ACIDS
MIXTURES
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
ORGANIC COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
SOLUTIONS
SULFIDES
SULFUR COMPOUNDS
TEMPERATURE RANGE
Geothermal Legacy
400201* - Chemical & Physicochemical Properties
580000 - Geosciences