Book contents
- Frontmatter
- Dedication
- Contents
- Preface
- Preface to Second Edition
- Preface to First Edition
- A Note About Software
- 1 Introduction
- 2 Modeling Overview
- PART I EQUILIBRIUM IN NATURAL WATERS
- 3 The Equilibrium State
- 4 Solving for the Equilibrium State
- 5 Changing the Basis
- 6 Equilibrium Models of NaturalWaters
- 7 Redox Disequilibrium
- 8 Activity Coefficients
- 9 Sorption and Ion Exchange
- 10 Surface Complexation
- 11 Three-Layer Complexation
- 12 Automatic Reaction Balancing
- 13 Uniqueness
- PART II REACTION PROCESSES
- PART III APPLIED REACTION MODELING
- Appendix A Sources of Modeling Software
- Appendix B Evaluating the HMW Activity Model
- Appendix C Minerals in the LLNL Database
- Appendix D Nonlinear Rate Laws
- References
- Index
3 - The Equilibrium State
from PART I - EQUILIBRIUM IN NATURAL WATERS
Published online by Cambridge University Press: 09 December 2021
Book contents
- Frontmatter
- Dedication
- Contents
- Preface
- Preface to Second Edition
- Preface to First Edition
- A Note About Software
- 1 Introduction
- 2 Modeling Overview
- PART I EQUILIBRIUM IN NATURAL WATERS
- 3 The Equilibrium State
- 4 Solving for the Equilibrium State
- 5 Changing the Basis
- 6 Equilibrium Models of NaturalWaters
- 7 Redox Disequilibrium
- 8 Activity Coefficients
- 9 Sorption and Ion Exchange
- 10 Surface Complexation
- 11 Three-Layer Complexation
- 12 Automatic Reaction Balancing
- 13 Uniqueness
- PART II REACTION PROCESSES
- PART III APPLIED REACTION MODELING
- Appendix A Sources of Modeling Software
- Appendix B Evaluating the HMW Activity Model
- Appendix C Minerals in the LLNL Database
- Appendix D Nonlinear Rate Laws
- References
- Index
Summary
Whereas determining the equilibrium point of a single chemical reaction is a straightforward application of thermodynamics, calculating the distribution of chemical mass among aqueous species, solids, and gases in a system composed of an arbitrary number of thermodynamic components requires that perhaps hundreds or thousands of reactions be evaluated at the same time. This chapter lays out a general set of equations by which a computer algorithm can quickly and reliably determine the equilibrium state of a multicomponent chemical system.
- Type
- Chapter
- Information
- Geochemical and Biogeochemical Reaction Modeling , pp. 23 - 44Publisher: Cambridge University PressPrint publication year: 2022