GEOQUÌMICO : an interactive tool for comparing sorption conceptual models (surface complexation modeling verus K[D]).

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Description

Within reactive geochemical transport, several conceptual models exist for simulating sorption processes in the subsurface. Historically, the K{sub D} approach has been the method of choice due to ease of implementation within a reactive transport model and straightforward comparison with experimental data. However, for modeling complex sorption phenomenon (e.g. sorption of radionuclides onto mineral surfaces), this approach does not systematically account for variations in location, time, or chemical conditions, and more sophisticated methods such as a surface complexation model (SCM) must be utilized. It is critical to determine which conceptual model to use; that is, when the material variation becomes ... continued below

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26 p.

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Hammond, Glenn E. (Pacific Northwest National Laboratory, Richland, WA) & Cygan, Randall Timothy November 1, 2007.

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Description

Within reactive geochemical transport, several conceptual models exist for simulating sorption processes in the subsurface. Historically, the K{sub D} approach has been the method of choice due to ease of implementation within a reactive transport model and straightforward comparison with experimental data. However, for modeling complex sorption phenomenon (e.g. sorption of radionuclides onto mineral surfaces), this approach does not systematically account for variations in location, time, or chemical conditions, and more sophisticated methods such as a surface complexation model (SCM) must be utilized. It is critical to determine which conceptual model to use; that is, when the material variation becomes important to regulatory decisions. The geochemical transport tool GEOQUIMICO has been developed to assist in this decision-making process. GEOQUIMICO provides a user-friendly framework for comparing the accuracy and performance of sorption conceptual models. The model currently supports the K{sub D} and SCM conceptual models. The code is written in the object-oriented Java programming language to facilitate model development and improve code portability. The basic theory underlying geochemical transport and the sorption conceptual models noted above is presented in this report. Explanations are provided of how these physicochemical processes are instrumented in GEOQUIMICO and a brief verification study comparing GEOQUIMICO results to data found in the literature is given.

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26 p.

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  • Report No.: SAND2007-7091
  • Grant Number: AC04-94AL85000
  • DOI: 10.2172/922751 | External Link
  • Office of Scientific & Technical Information Report Number: 922751
  • Archival Resource Key: ark:/67531/metadc896884

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  • November 1, 2007

Added to The UNT Digital Library

  • Sept. 27, 2016, 1:39 a.m.

Description Last Updated

  • Dec. 5, 2016, 6:19 p.m.

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Hammond, Glenn E. (Pacific Northwest National Laboratory, Richland, WA) & Cygan, Randall Timothy. GEOQUÌMICO : an interactive tool for comparing sorption conceptual models (surface complexation modeling verus K[D])., report, November 1, 2007; United States. (digital.library.unt.edu/ark:/67531/metadc896884/: accessed December 13, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.