PNG 550
Reactive Transport in the Subsurface

Lesson 1: Aqueous Complexation


This lesson introduces reaction thermodynamics and equilibrium constants, and teaches how to set up simulations for aqueous speciation / complexation reactions in CrunchFlow. We use the terms aqueous speciation and complexation interexchangably. We will discuss thermodynamics principles, followed by the concepts of primary and secondary species. 

Learning Outcomes

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

  1. Understand principles of reaction thermodynamics;
  2. Understand why and how to group aqueous species into primary and secondary species;
  3. Set up simulations for aqueous complexation reactions in CrunchFlow;
  4. Appreciate how aqueous complexation differ under different geochemical conditions.

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

To Do

  1. Read online text materials and watch videos.
  2. Finish take home practice.
  3. Homework questions 1 and 2


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.