TOUGHREACT Testing in High Ionic Strength Brine Sandstone Systems

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Deep saline formations and oil and gas reservoirs often contain concentrated brine solutions of ionic strength greater than 1 (I > 1 M). Geochemical modeling, involving high ionic strength brines, is a challenge. In the original TOUGHREACT code (Xu et al., 2004; Xu et al., 2006), activity coefficients of charged aqueous species are computed using an extended Debye-Huckel (DH) equation and parameters derived by Helgeson et al. (1981). The DH model can deal with ionic strengths from dilute to moderately saline water (up to 6 molal for an NaCl-dominant solution). The equations implemented for the DH model are presented in ... continued below

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Xu, Tianfu September 1, 2008.

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Deep saline formations and oil and gas reservoirs often contain concentrated brine solutions of ionic strength greater than 1 (I > 1 M). Geochemical modeling, involving high ionic strength brines, is a challenge. In the original TOUGHREACT code (Xu et al., 2004; Xu et al., 2006), activity coefficients of charged aqueous species are computed using an extended Debye-Huckel (DH) equation and parameters derived by Helgeson et al. (1981). The DH model can deal with ionic strengths from dilute to moderately saline water (up to 6 molal for an NaCl-dominant solution). The equations implemented for the DH model are presented in Appendix A. During the course of the Yucca Mountain project, a Pitzer ion-interaction model was implemented into TOUGHREACT. This allows the application of this simulator to problems involving much more concentrated aqueous solutions, such as those involving geochemical processes in and around high-level nuclear waste repositories where fluid evaporation and/or boiling is expected to occur (Zhang et al., 2007). The Pitzer ion-interaction model, which we refer to as the Pitzer virial approach, and associated ion-interaction parameters have been applied successfully to study non-ideal concentrated aqueous solutions. The formulation of the Pitzer model is presented in Appendix B; detailed information can be founded in Zhang et al. (2007). For CO{sub 2} geological sequestration, the Pitzer ion-interaction model for highly concentrated brines was incorporated into TOUGHREACT/ECO2N, then was tested and compared with a previously implemented extended Debye-Hueckel (DH) ion activity model. The comparison was made through a batch geochemical system using a Gulf Coast sandstone saline formation.

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  • Report No.: LBNL-1051E
  • Grant Number: DE-AC02-05CH11231
  • DOI: 10.2172/941168 | External Link
  • Office of Scientific & Technical Information Report Number: 941168
  • Archival Resource Key: ark:/67531/metadc899240

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Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • September 1, 2008

Added to The UNT Digital Library

  • Sept. 27, 2016, 1:39 a.m.

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  • Sept. 29, 2017, 5:59 p.m.

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Xu, Tianfu. TOUGHREACT Testing in High Ionic Strength Brine Sandstone Systems, report, September 1, 2008; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc899240/: accessed November 23, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.