A Lagrangian reactive transport simulator with successive paths and stationary-states: Concepts, implementation and verification; Revision 1

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A geochemical software package which models static, single-path kinetic water-rock interactions, EQ3/6 has been modified to incorporate successive-paths and stationary states under high Peclet number transport conditions in a Lagrangian reference frame. These modifications permit calculation of reactive transport with reasonable computational requirements. Results from the new option in EQ3/6 have been compared with analytical results for the simple HCl{endash}SiO{sub 2} system; excellent agreements were achieved. Results have also been compared with published results for a portion of the Al{sub 2}O{sub 3}{endash}HCl{endash}K{sub 2}O{endash}SiO{sub 2} system. The results are in good qualitative and, in some cases, good quantitative agreement. However, the ... continued below

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33 p.

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Knapp, R.B. September 1, 1989.

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Description

A geochemical software package which models static, single-path kinetic water-rock interactions, EQ3/6 has been modified to incorporate successive-paths and stationary states under high Peclet number transport conditions in a Lagrangian reference frame. These modifications permit calculation of reactive transport with reasonable computational requirements. Results from the new option in EQ3/6 have been compared with analytical results for the simple HCl{endash}SiO{sub 2} system; excellent agreements were achieved. Results have also been compared with published results for a portion of the Al{sub 2}O{sub 3}{endash}HCl{endash}K{sub 2}O{endash}SiO{sub 2} system. The results are in good qualitative and, in some cases, good quantitative agreement. However, the values of some variables differ substantially; these differences can be attributed to use of a different set of Al and Si aqueous species. 16 refs., 12 figs., 3 tabs.

Physical Description

33 p.

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INIS; OSTI as DE90007860

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  • Materials Research Society conference, Boston, MA (United States), 27-30 Sep 1989

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  • Other: DE90007860
  • Report No.: UCRL--100952-Rev.1
  • Report No.: CONF-8909306--1-Rev.1
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 137672
  • Archival Resource Key: ark:/67531/metadc622850

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Office of Scientific & Technical Information Technical Reports

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  • September 1, 1989

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  • June 16, 2015, 7:43 a.m.

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  • Feb. 23, 2016, 6:49 p.m.

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Knapp, R.B. A Lagrangian reactive transport simulator with successive paths and stationary-states: Concepts, implementation and verification; Revision 1, article, September 1, 1989; California. (digital.library.unt.edu/ark:/67531/metadc622850/: accessed December 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.