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Chapter 2 - Modeling tools

Published online by Cambridge University Press:  05 June 2014

J. Donald Rimstidt
Affiliation:
Virginia Polytechnic Institute and State University
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Summary

Before any model is ready for use it must be verified. The verification step is greatly simplified if the model is constructed using conventional computational methods, notation, and units. This chapter reviews some procedures and conventions that are recommended for geochemical model construction.

Balancing chemical reactions

The first step in building a geochemical model is to write balanced equations that describe the governing chemical reactions. It is often possible to recognize these reactions based on past experiences, but when experience is lacking a general strategy is needed to identify these key reactions. The strategy should recognize that, with few exceptions, the key reactions involve the most abundant phases and chemical species. Creating a mineral inventory listing the possible hosts for the elements of interest is a first step toward selecting the solid phases to include in the model. Similarly, a chemical analysis of the aqueous phase can be used along with an aqueous speciation model to identify important aqueous species. The reactions among these mineral and aqueous species are expressed as balanced chemical reactions and these reactions become the basis for the subsequent model.

Type
Chapter
Information
Geochemical Rate Models
An Introduction to Geochemical Kinetics
, pp. 9 - 35
Publisher: Cambridge University Press
Print publication year: 2013

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  • Modeling tools
  • J. Donald Rimstidt, Virginia Polytechnic Institute and State University
  • Book: Geochemical Rate Models
  • Online publication: 05 June 2014
  • Chapter DOI: https://doi.org/10.1017/CBO9781139342773.003
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  • Modeling tools
  • J. Donald Rimstidt, Virginia Polytechnic Institute and State University
  • Book: Geochemical Rate Models
  • Online publication: 05 June 2014
  • Chapter DOI: https://doi.org/10.1017/CBO9781139342773.003
Available formats
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Save book to Google Drive

To save content items to your account, please confirm that you agree to abide by our usage policies. If this is the first time you use this feature, you will be asked to authorise Cambridge Core to connect with your account. Find out more about saving content to Google Drive.

  • Modeling tools
  • J. Donald Rimstidt, Virginia Polytechnic Institute and State University
  • Book: Geochemical Rate Models
  • Online publication: 05 June 2014
  • Chapter DOI: https://doi.org/10.1017/CBO9781139342773.003
Available formats
×