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
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...
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Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry
1992
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ftunivnotexas:info:ark/67531/metadc1190823 2023-05-15T15:52:31+02:00 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 Wood, R.H. Hnedkovsky, L. Lin, Ching Lung (Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry) Shock, E.L. (Washington Univ., St. Louis, MO (United States). Dept. of Earth and Planetary Sciences) United States. Department of Energy. 1992-02-24 20 pages Text https://doi.org/10.2172/7079734 https://digital.library.unt.edu/ark:/67531/metadc1190823/ English eng Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry other: DE92040856 rep-no: DOE/ER/14080-3 grantno: FG02-89ER14080 doi:10.2172/7079734 osti: 7079734 https://digital.library.unt.edu/ark:/67531/metadc1190823/ ark: ark:/67531/metadc1190823 Organic Compounds Sulfides Progress Report Nitrogen Compounds Solubility Volume Boron Compounds Bubbles Thermodynamic Properties Hydrides Chalcogenides Hydrogen Compounds 58 Geosciences Methane Carbonic Acid Physical Properties Chemistry Carbon Compounds Hydrogen Sulfides Temperature Range Geothermal Legacy 400201* -- Chemical & Physicochemical Properties Hydrocarbons Energy Carbon Oxides Geothermal Legacy Free Energy Boric Acid Inorganic Acids Aqueous Solutions Ammonia High Pressure Sulfur Compounds Oxides Solutions Hydrothermal Systems Document Types Oxygen Compounds Temperature Range 0400-1000 K Dispersions Carbon Dioxide 37 Inorganic Organic Physical And Analytical Chemistry Rock-Fluid Interactions Density Geochemistry 580000 -- Geosciences Mixtures Geothermal Systems Very High Pressure Alkanes Nitrogen Hydrides Report 1992 ftunivnotexas https://doi.org/10.2172/7079734 2019-05-18T22:08:49Z 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. Report Carbonic acid University of North Texas: UNT Digital Library |
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University of North Texas: UNT Digital Library |
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ftunivnotexas |
language |
English |
topic |
Organic Compounds Sulfides Progress Report Nitrogen Compounds Solubility Volume Boron Compounds Bubbles Thermodynamic Properties Hydrides Chalcogenides Hydrogen Compounds 58 Geosciences Methane Carbonic Acid Physical Properties Chemistry Carbon Compounds Hydrogen Sulfides Temperature Range Geothermal Legacy 400201* -- Chemical & Physicochemical Properties Hydrocarbons Energy Carbon Oxides Geothermal Legacy Free Energy Boric Acid Inorganic Acids Aqueous Solutions Ammonia High Pressure Sulfur Compounds Oxides Solutions Hydrothermal Systems Document Types Oxygen Compounds Temperature Range 0400-1000 K Dispersions Carbon Dioxide 37 Inorganic Organic Physical And Analytical Chemistry Rock-Fluid Interactions Density Geochemistry 580000 -- Geosciences Mixtures Geothermal Systems Very High Pressure Alkanes Nitrogen Hydrides |
spellingShingle |
Organic Compounds Sulfides Progress Report Nitrogen Compounds Solubility Volume Boron Compounds Bubbles Thermodynamic Properties Hydrides Chalcogenides Hydrogen Compounds 58 Geosciences Methane Carbonic Acid Physical Properties Chemistry Carbon Compounds Hydrogen Sulfides Temperature Range Geothermal Legacy 400201* -- Chemical & Physicochemical Properties Hydrocarbons Energy Carbon Oxides Geothermal Legacy Free Energy Boric Acid Inorganic Acids Aqueous Solutions Ammonia High Pressure Sulfur Compounds Oxides Solutions Hydrothermal Systems Document Types Oxygen Compounds Temperature Range 0400-1000 K Dispersions Carbon Dioxide 37 Inorganic Organic Physical And Analytical Chemistry Rock-Fluid Interactions Density Geochemistry 580000 -- Geosciences Mixtures Geothermal Systems Very High Pressure Alkanes Nitrogen Hydrides Wood, R.H. Hnedkovsky, L. Lin, Ching Lung (Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry) Shock, E.L. (Washington Univ., St. Louis, MO (United States). Dept. of Earth and Planetary Sciences) 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 |
topic_facet |
Organic Compounds Sulfides Progress Report Nitrogen Compounds Solubility Volume Boron Compounds Bubbles Thermodynamic Properties Hydrides Chalcogenides Hydrogen Compounds 58 Geosciences Methane Carbonic Acid Physical Properties Chemistry Carbon Compounds Hydrogen Sulfides Temperature Range Geothermal Legacy 400201* -- Chemical & Physicochemical Properties Hydrocarbons Energy Carbon Oxides Geothermal Legacy Free Energy Boric Acid Inorganic Acids Aqueous Solutions Ammonia High Pressure Sulfur Compounds Oxides Solutions Hydrothermal Systems Document Types Oxygen Compounds Temperature Range 0400-1000 K Dispersions Carbon Dioxide 37 Inorganic Organic Physical And Analytical Chemistry Rock-Fluid Interactions Density Geochemistry 580000 -- Geosciences Mixtures Geothermal Systems Very High Pressure Alkanes Nitrogen Hydrides |
description |
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. |
author2 |
United States. Department of Energy. |
format |
Report |
author |
Wood, R.H. Hnedkovsky, L. Lin, Ching Lung (Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry) Shock, E.L. (Washington Univ., St. Louis, MO (United States). Dept. of Earth and Planetary Sciences) |
author_facet |
Wood, R.H. Hnedkovsky, L. Lin, Ching Lung (Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry) Shock, E.L. (Washington Univ., St. Louis, MO (United States). Dept. of Earth and Planetary Sciences) |
author_sort |
Wood, R.H. |
title |
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 |
title_short |
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 |
title_full |
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 |
title_fullStr |
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 |
title_full_unstemmed |
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 |
title_sort |
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 |
publisher |
Delaware Univ., Newark, DE (United States). Dept. of Chemistry and Biochemistry |
publishDate |
1992 |
url |
https://doi.org/10.2172/7079734 https://digital.library.unt.edu/ark:/67531/metadc1190823/ |
genre |
Carbonic acid |
genre_facet |
Carbonic acid |
op_relation |
other: DE92040856 rep-no: DOE/ER/14080-3 grantno: FG02-89ER14080 doi:10.2172/7079734 osti: 7079734 https://digital.library.unt.edu/ark:/67531/metadc1190823/ ark: ark:/67531/metadc1190823 |
op_doi |
https://doi.org/10.2172/7079734 |
_version_ |
1766387677605658624 |