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

Abstract

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 resultsmore » to data found in the literature is given.« less

Authors:
 [1];
  1. (Pacific Northwest National Laboratory, Richland, WA)
Publication Date:
Research Org.:
Sandia National Laboratories
Sponsoring Org.:
USDOE
OSTI Identifier:
922751
Report Number(s):
SAND2007-7091
TRN: US0802144
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; G CODES; GEOCHEMISTRY; ENVIRONMENTAL TRANSPORT; SORPTION; MINERALS; RADIOISOTOPES; ACCURACY; DECISION MAKING; PERFORMANCE; Geochemical modeling.; Sorption-Mathematical models.

Citation Formats

Hammond, Glenn E., and Cygan, Randall Timothy. GEOQUÌMICO : an interactive tool for comparing sorption conceptual models (surface complexation modeling verus K[D]).. United States: N. p., 2007. Web. doi:10.2172/922751.
Hammond, Glenn E., & Cygan, Randall Timothy. GEOQUÌMICO : an interactive tool for comparing sorption conceptual models (surface complexation modeling verus K[D]).. United States. doi:10.2172/922751.
Hammond, Glenn E., and Cygan, Randall Timothy. Thu . "GEOQUÌMICO : an interactive tool for comparing sorption conceptual models (surface complexation modeling verus K[D]).". United States. doi:10.2172/922751. https://www.osti.gov/servlets/purl/922751.
@article{osti_922751,
title = {GEOQUÌMICO : an interactive tool for comparing sorption conceptual models (surface complexation modeling verus K[D]).},
author = {Hammond, Glenn E. and Cygan, Randall Timothy},
abstractNote = {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.},
doi = {10.2172/922751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Nov 01 00:00:00 EDT 2007},
month = {Thu Nov 01 00:00:00 EDT 2007}
}

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