Geological sequestration of carbon dioxide thermodynamics kinetics and reaction path modeling 1st Edition by Luigi Marini 0444529500 9780444529503

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ISBN 10: 0444529500

ISBN 13: 9780444529503

Author: Luigi Marini

The contents of this monograph are two-scope. First, it intends to provide a synthetic but complete account of the thermodynamic and kinetic foundations on which the reaction path modeling of geological CO2 sequestration is based. In particular, a great effort is devoted to review the thermodynamic properties of CO2 and of the CO2-H2O system and the interactions in the aqueous solution, the thermodynamic stability of solid product phases (by means of several stability plots and activity plots), the volumes of carbonation reactions, and especially the kinetics of dissolution/precipitation reactions of silicates, oxides, hydroxides, and carbonates.

Second, it intends to show the reader how reaction path modeling of geological CO2 sequestration is carried out. To this purpose the well-known high-quality EQ3/6 software package is used. Setting up of computer simulations and obtained results are described in detail and used EQ3/6 input files are given to guide the reader step-by-step from the beginning to the end of these exercises.

Finally, some examples of reaction-path- and reaction-transport-modeling taken from the available literature are presented. The results of these simulations are of fundamental importance to evaluate the amounts of potentially sequestered CO2, and their evolution with time, as well as the time changes of all the other relevant geochemical parameters (e.g., amounts of solid reactants and products, composition of the aqueous phase, pH, redox potential, effects on aquifer porosity). In other words, in this way we are able to predict what occurs when CO2 is injected into a deep aquifer.

* Provides applications for investigating and predicting geological carbon dioxide sequestration
* Reviews the geochemical literature in the field
* Discusses the importance of geochemists in the multidisciplinary study of geological carbon dioxide sequestration

Geological sequestration of carbon dioxide thermodynamics kinetics and reaction path modeling 1st Table of contents:

Chapter 1: Why We Should Care: The Impact of Anthropogenic Carbon Dioxide on the Carbon Cycle

1.1 Carbon dioxide: from its discovery to the understanding of its role

1.2 The short-term carbon cycle

1.3 Atmospheric CO2 concentration

1.4 Carbon cycle modelling and prediction of future atmospheric CO2 concentrations

1.5 Conclusive remarks

Chapter 2: The Thermodynamic Background

2.1 The chemical potential

2.2 The standard state

2.3 Fugacity and activity

2.4 The study of chemical equilibrium

2.5 Changes in Gibbs free energy with temperature and pressure

Chapter 3: Carbon Dioxide and CO2–H2O Mixtures

3.1 The geological sequestration of CO2: What happens?

3.2 The P–T phase diagram of CO2

3.3 The equation of state for a pure gas

3.4 The molar volume of pure CO2 and related thermodynamic properties

3.5 The CO2 –H2O system

3.6 The equations of state for CO2–H2O gas mixtures

3.7 Mutual solubilities of CO2 and H2O in CO2–H2O mixtures

3.8 Impact of dissolved salts on the mutual solubilities of CO2 and H2O

3.9 The plot of pressure versus enthalpy for carbon dioxide

Chapter 4: The Aqueous Electrolyte Solution

4.1 The important role of aqueous electrolyte solutions

4.2 The Debye–Hückel theory

4.3 The HKF model for aqueous electrolytes

4.4 The Pitzer model for aqueous electrolytes

4.5 Implications for CO2solubility in concentrated aqueous solutions

Chapter 5: The Product Solid Phases

5.1 Major carbonate minerals

5.2 The stability of silica minerals

5.3 Clay minerals and related solid phases

5.4 The thermodynamics of gas–solid carbonation reactions

5.5 The volume changes of carbonation reactions

Chapter 6: The Kinetics of Mineral Carbonation

6.1 Fundamental concepts and relations

6.2 The kinetics of precipitation and dissolution of solid phases

6.3 The kinetics of chemical weathering

6.4 The rate laws of mineral dissolution/precipitation

6.5 Dissolution laboratory experiments

6.6 Dissolution and precipitation rates of silicates and silica minerals

6.7 Dissolution rates of oxides and hydroxides

6.8 Dissolution and precipitation rates of carbonates

6.9 Dissolution rates of sulphates, sulphides, phosphates and halides

Chapter 7: Reaction Path Modelling of Geological CO2 Sequestration

7.1 The reconstruction of the initial (before CO2 injection) aqueous solution: speciation-saturation calculations

7.2 Reaction path modelling

7.3 Reaction path modelling of geological CO2sequestration in ultramafic rocks

7.4 Reaction path modelling of geological CO2sequestration in continental tholeiitic flood basalts

7.5 Reaction path modelling of geological CO2sequestration in basaltic glass

7.6 Reaction path modelling of geological CO2sequestration in sedimentary basins

7.7 Water–rock reactions during geological CO2sequestration: the experimental evidence

7.8 Water–rock reactions during geological CO2sequestration: the field evidence

7.9 The need for a synergistic approach

7.10 A final note

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