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...
Main Authors: | , , , |
---|---|
Language: | unknown |
Published: |
2009
|
Subjects: | |
Online Access: | http://www.osti.gov/servlets/purl/7079734 https://www.osti.gov/biblio/7079734 https://doi.org/10.2172/7079734 |
id |
ftosti:oai:osti.gov:7079734 |
---|---|
record_format |
openpolar |
spelling |
ftosti:oai:osti.gov:7079734 2023-07-30T04:02:55+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 . Dept. of Chemistry and Biochemistry) Shock, E.L. . Dept. of Earth and Planetary Sciences) 2009-12-10 application/pdf http://www.osti.gov/servlets/purl/7079734 https://www.osti.gov/biblio/7079734 https://doi.org/10.2172/7079734 unknown http://www.osti.gov/servlets/purl/7079734 https://www.osti.gov/biblio/7079734 https://doi.org/10.2172/7079734 doi:10.2172/7079734 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 2009 ftosti https://doi.org/10.2172/7079734 2023-07-11T10:53:54Z 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. Other/Unknown Material Carbonic acid SciTec Connect (Office of Scientific and Technical Information - OSTI, U.S. Department of Energy) |
institution |
Open Polar |
collection |
SciTec Connect (Office of Scientific and Technical Information - OSTI, U.S. Department of Energy) |
op_collection_id |
ftosti |
language |
unknown |
topic |
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 |
spellingShingle |
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 Wood, R.H. Hnedkovsky, L. Lin, Ching Lung . Dept. of Chemistry and Biochemistry) Shock, E.L. . 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 |
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 |
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. |
author |
Wood, R.H. Hnedkovsky, L. Lin, Ching Lung . Dept. of Chemistry and Biochemistry) Shock, E.L. . Dept. of Earth and Planetary Sciences) |
author_facet |
Wood, R.H. Hnedkovsky, L. Lin, Ching Lung . Dept. of Chemistry and Biochemistry) Shock, E.L. . 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 |
publishDate |
2009 |
url |
http://www.osti.gov/servlets/purl/7079734 https://www.osti.gov/biblio/7079734 https://doi.org/10.2172/7079734 |
genre |
Carbonic acid |
genre_facet |
Carbonic acid |
op_relation |
http://www.osti.gov/servlets/purl/7079734 https://www.osti.gov/biblio/7079734 https://doi.org/10.2172/7079734 doi:10.2172/7079734 |
op_doi |
https://doi.org/10.2172/7079734 |
_version_ |
1772813784294883328 |