CO2 Capture and H2S Removal from Syngas Using Ionic Liquids

目录

声明

Abstract

Contents

Nomenclature

Chapter 1 Introduction

1．1．CO2 and H2S acid gases and their industrial sources

1．2．Syngas production and applications

1．2．1．Syngas production

1．2．2．Syngas applications

1．3．Syngas purification technologies and acid gas removal processes

1．3．1．Chemical solvents

1．3．2．Physical solvents

1．3．3．Hybrid solvents

1．3．4．Other technologies

1．4．Ionic liquids，designer solvents

1．4．1．Solubility of CO2 in ionic liquids

1．4．2．Solubility of H2S in ionic liquids

1．4．3．Solubility of H2 and CO in ionic liquids

1．4．4．Selectivity of CO2 and H2S over CO and H2 in ionic liquids

1．4．5．Selectivity of H2S over CO2 in ionic liquids

1．4．6．Design and simulation of ionic liquid-based acid gas removal processes

1．5．Significance and main contents of the dissertation

1．5．1．Significance

1．5．2．Main contents

Chapter 2 UNIFAC-Lei and COSMO-RS predictive thermodynamic models for gas-ionic liquid systems

2．1．UNIFAC-Lei model

2．1．1．Introduction to the model

2．1．2．Group decomposition approach

2．1．3．Activity coefficient formulation and parameters

2．2．COSMO-RS model

2．2．1．Introduction to the model

2．2．2．Model equations andactivity coefficient formulation

2．2．3．Estimation of the pure compound vapor pressure

2．3．Evaluation of Henry’s constants of CO2 and H2S in ionic liquids using COSMO-RS

2．4．Summary

Chapter 3 Experiments and UNIFAC-Lei modeling of VLE of CO2 in ionic liquid and ionic liquid-methanol

3．1．Materials

3．2．Experimental Apparatus

3．3．Procedure for conducting VLE experiments

3．4．UNIFAC-Lei modeling

3．5．Results and discussion

3．5．2．Solubility of CO2 in hybrid IL-methanol solvent：experiments and predictions

3．5．3．Gas-phase composition analysis of hybrid IL-methanol solvent

3．5．4．Prediction of Henry’s law constants of CO2

3．6．Summary

Chapter 4 Design and Simulation of ionic liquin-basea syngas acid gas renmoval processes

4．1．CO2 capture in conceptual pure [AMIM][Tf2N] and hybrid [AMIM][Tf2N]-methanol processes

4．1．2．Configuration of the processes

4．1．3．Sensitivity analysis of operative variables

4．1．4．UNIFAC property model

4．1．5．Results and discussion

4．2．CO2 capture and H2S removal from syngas in a practical ionic liquid-based process

4．2．1．Reference Rectisol process

4．2．2．Modeling，simulation，and optimization of the IL-based process

4．2．3．Results and discussion

4．3．Summary

Chapter 5 High-throughput ionic liquid solvent screening for CO2 capture and H2S removal from syngas

5．1．Solvent downselecting criteria

5．1．1．Solubility and selectivity

5．1．2．Working capacity

5．1．3．Enthalpy of absorption

5．1．4．Sensible heat

5．1．5．Melting point

5．1．6．Viscosity

5．1．7．Ionic liquid qualitative criteria

5．2．Ionic liquid database and COSMO-RS calculations

5．3．Screening methodology and downselecting algorithm

5．4．Resuits and discussion

5．4．1．Preliminary downselection based on the melting point and viscosity

5．4．2．Secondary downselection based on the acid gas solubinty，selectivity，and working capacity

5．4．3．A flashback to the solubility and selectivity of ILs towards the gases：analysis of COSMO-RS σ-profiles and σ-potentials

5．4．4．Tertiary downselection based on the absorption and sensible heats for CO2 capture

5．4．5．Selection of final candidates based on the ILs qualitative properties

5．6．Summary

Chapter 6 Conclusions

6．1．Main conclusions

6．2．Innovations

6．3．Recommendations for future works

References

Appendix

Acknowledgements

Journal and conference publications

Introduction to author and supervisor