PNG 550
Reactive Transport in the Subsurface

Lesson 1: Aqueous Complexation

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Chemical species form complexes in the water phase through aqueous complexation reactions. These reactions occur fast and are controlled by reaction thermodynamics. This lesson introduces reaction thermodynamics, equilibrium constants, and how to set up simulations for aqueous speciation / metal complexation reactions in CrunchFlow. We will discuss thermodynamics principles, followed by the concepts of primary and secondary species. A few examples will be illustrated about how to choose primary and secondary species, and setup simulations for aqueous complexation in CrunchFlow.

Learning Outcomes

By the end of this lesson, you should be able to:

  1. Understand reaction thermodynamics principles
  2. Understand why and how to group different aqueous species into primary and secondary species
  3. Set up simulations for aqueous speciation and complexation reactions in CrunchFlow. 

Lesson Roadmap

Lesson Roadmap

To Read (Optional)
  1. Chapter 2, Principles and Applications of Aquatic Chemistry, by F. M. M. Morel and J. Hering, 1993
  2. Langmuir, 1997, Chapter 1 and 3 (Langmuir et al., 1997) 

To Do
  1. Finish take home practice 1
  2. Homework questions 1 and 2

Questions?

If you have any questions, please post them to our Questions? discussion forum (not e-mail), located in Canvas. The TA and I will check that discussion forum daily to respond. While you are there, feel free to post your own responses if you, too, are able to help out a classmate.