Carbon capture and sequestration (CCS)

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Table of contents

List of figures
List of tables
Nomenclature
1 Setting up stage
1.1 Introduction
1.2 A very brief history of thermodynamics
1.3 Motivation for this work
1.4 Roles of Electrolytes in Various Industries: Scope of this work
1.4.1 Biorefining industry
1.4.2 Oil and Gas industry
1.4.3 Carbon capture and sequestration (CCS)
1.4.4 Acid gas injection
1.4.5 Pharmaceutical industry
1.4.6 Other uses of electrolytes
1.5 Aqueous two-phase systems
1.6 Objectives of this research
2 Electrolyte thermodynamic model and the State of the art
2.1 Introduction
2.2 Activity coefficient models vs EoS
2.3 Interactions in electrolyte systems and theories
2.3.1 Discharge
2.3.2 Repulsion and dispersion
2.3.3 The Structure-forming step
2.3.4 Electrolyte terms
2.4 Review of the existing electrolyte and mixed-solvent electrolyte EoS
2.4.1 State of the art
2.4.2 Choice of thermodynamic model
2.5 Statistical associating fluid theory (SAFT)
2.5.1 Perturbation theory
2.5.2 History of Statistical Associating Fluid Theory (SAFT)
2.5.3 Mathematical description of PC-SAFT
2.5.4 Various terms of ePPC-SAFT
2.5.5 Group contribution approach
2.5.6 Cross association parameters
3 Modified model of PC-SAFT for water
3.1 Abstract
3.2 Introduction
3.3 Model
3.3.1 Previous Descriptions of Water with the PC-SAFT EoS
3.3.2 A new Temperature Dependence of Water Diameter
3.4 Results for binary mixtures
3.4.1 Mutual solubilities
3.4.2 Octanol/Water Partition coefficient
3.4.3 Gibbs energy of Hydrogen Bonding
3.4.4 Conclusion
4 Modeling of strong electrolytes
4.1 Abstract
4.2 Introduction
4.3 Some thoughts and arguments related to the choices made in this work .
4.3.1 What is solvation?
4.3.2 Specificities related to the GC-ePPC-SAFT model
4.3.3 Parameters from previous work
4.4 Ion parameterization procedure
4.5 Regression Results
4.5.1 Correlation results for Alkali halide brines
4.5.2 Solvation Gibbs energies for Alkali halide brines
4.6 Alkanes and acid gases with brines: salting out effect in presence of organic compounds
4.7 Mixed solvent electrolytes
4.8 Conclusion
5 Modeling LLE of mixed-solvent electrolytes
5.1 Introduction
5.2 Algorithmic issue: Electroneutrality
5.2.1 Generalities
5.2.2 Current state: without electroneutrality
5.2.3 A new method for electroneutrality: Modifying the fugacity coefficient
5.3 The machinery
5.3.1 Prediction of the LLE by the non-parameterized model
5.3.2 Partition coefficient of salts
5.4 Parameterizing mixed solvent salt systems using available data
5.4.1 Dielectric constant of mixed-solvents
5.4.2 MIAC of mixed solvent electrolyte systems: Analysis
5.4.3 Approach for parameterization of mixed-solvent salt systems
5.4.4 Result of MIAC for mixed solvent electrolytes
5.4.5 Parameter for 1-Butanol-water-salt systems from LLE data
5.5 Final results
5.6 Conclusion
6 Conclusions and recommendations for future work
6.1 Conclusion
6.2 Recommendations for future work
Bibliography