Educational Resources

Geochemical Modeling and Its Applications to Groundwater Resources and Quality

An introduction to geochemical modeling webinar given through the National Ground Water Association

Modeling Resources

Rate Equation Scripts for ᴘʜʀᴇᴇǫᴄ

To facilitate the application of kinetics in geochemical modeling, kinetics rate equations and parameters for 100 minerals were programmed into a library of callable Basic language scripts for the geochemical modeling program ᴘʜʀᴇᴇǫᴄ (version 3.4.0). These Basic language scripts can also be used as templates for other rate equations which users wish to use.

To use this library, users should select the phases to be included in the kinetics model, copy the scripts, and paste under the RATES block in a ᴘʜʀᴇᴇǫᴄ input file. For further instruction on how to build the ᴘʜʀᴇᴇǫᴄ input file, please refer to the manual of ᴘʜʀᴇᴇǫᴄ (Parkhurst and Appelo, 2013).

Updated sᴜᴘᴄʀᴛʙʟ Database (spronsbl.dat)

Our version of sᴜᴘᴄʀᴛ (sᴜᴘᴄʀᴛʙʟ) uses an updated database since the original publication of sᴜᴘᴄʀᴛ. We have added additional species, including arsenic minerals and aqueous species, aluminum species from Tagirov and Schott (2001), aqueous silica from Rimstidt (1997), and dawsonite from Benezeth et al. (2007). Please refer to Zimmer et al. (2016).

Reading Materials

Environmental Applications of Geochemical Modeling

Chen Zhu, Greg Anderson

This book discusses the application of geochemical models to environmental practice and studies, through the use of numerous case studies of real-world environmental problems, such as acid mine drainage, pit lake chemistry, nuclear waste disposal, and landfill leachates. In each example the authors clearly define the environmental threat in question; explain how geochemical modeling may help solve the problem posed; and advise the reader how to prepare input files for geochemical modeling codes and interpret the results in terms of meeting regulatory requirements.

  • Encompasses a wide variety of environmental problems and case studies
  • Covers all the widely used geochemical computer codes
  • Supported by input files on the Internet

Geochemical Rate Models - An Introduction to Geochemical Kinetics

J. Donald Rimstidt

This book describes rate models developed from fundamental kinetic theory and presents models using consistent terminology and notation. Major topics include rate equations, reactor theory, transition state theory, surface reactivity, advective and diffusive transport, aggregation kinetics, nucleation kinetics and solid-solid transformation rates. The theoretical basis and mathematical derivation of each model is presented in detail and illustrated with worked examples from real-world applications to geochemical problems. The book is also supported by online resources: self-study problems put students' new learning into practice, and spreadsheets provide the full data used in figures and examples, enabling students to manipulate the data for themselves. This is an ideal overview for graduate students, providing a solid understanding of geochemical kinetics. It will also provide researchers and professional geochemists with a valuable reference for solving scientific and engineering problems.

Thermodynamics in Geochemistry : The Equilibrium Model

Greg M. Anderson, David A. Crerar

This textbook and reference outlines the fundamental principles of thermodynamics, emphasizing applications in geochemistry. The work is distinguished by its comprehensive, balanced coverage and its rigorous presentation. The authors bring years of teaching experience to the work, and have attempted to particularly address those areas where other texts on the subject have provided inadequate coverage. A thorough review of the necessary mathematics is presented early on, both as a refresher for those with a background in university calculus, and for the benefit of those coming to the subject for the first time. The text is written for students in advanced undergraduate or graduate-level geochemistry as well as for all researchers in this field.