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Doctorat en Ciències Ambientals

Tesi Doctoral

Ivan Muñoz Ortiz

Bellaterra, març de 2006

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Dr. XAVIER DOMÈNECH ANTUNEZ, Catedràtic del Departament de Química de la Universitat Autònoma de

Barcelona,

i

Dr. SIXTO MALATO RODRÍGUEZ, Investigador Titular de OPI, Responsable de Detoxificación y Desinfección

de Aguas del Centro de Investigaciones Energéticas, Medioambientales y Tecnológicas (CIEMAT),

CERTIFIQUEM:

Que la present memòria, titulada “Life Cycle Assessment as a Tool for Green Chemistry: Application to

Different Advanced Oxidation Processes for Wastewater Treatment ”, ha estat realitzada sota la nostra

direcció a la Unitat de Química Física del Departament de Química de la Universitat Autònoma de Barcelona

pel llicenciat en Ciències Ambientals Ivan Muñoz Ortiz, i constitueix la seva tesi per optar al grau de Doctor en

Ciències Ambientals.

I perquè així consti, signem el present certificat a Bellaterra, 1 de març de 2006.

Dr. Xavier Domènech Antúnez Dr. Sixto Malato Rodríguez

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  i

CONTENTS

Acknowledgements/Agraïments/Agradecimientos..............................................................................................................iii  

Abbreviations .................................................................... .................................................................... .............................. v 

CHAPTER 1. Object ives and Structure of the Study...................................................................................................... 1 

1.1. Problem Setting............................................................................................................................................................2 

1.2. Objectives ........................................................ .................................................................... ........................................ 5 

1.3. Structure and Outline of the Study...............................................................................................................................6 

References to Chapter 1.....................................................................................................................................................8  

CHAPTER 2. Green Chemistr y: Concepts and Tools.....................................................................................................9 

2.1. The Green Chemistry Framework..............................................................................................................................11 

2.2. The Need to Measure “Greenness”............................................................................................................................19 

2.3. Review of Tools for Environmental Assessment.................................................................... .................................... 20 

References to Chapter 2 ........................................................ .................................................................. ......................... 31 

CHAPTER 3. Advanced Oxidation Processes for Water and Wastewater Treatment ............................................... 35 

3.1. Introduction ................................................................. ..................................................................... .......................... 37 

3.2. Heterogeneous Photocatalysis .................................................................... .............................................................. 40 

3.3. Ozonation...................................................................................................................................................................45 

3.4. Homogeneous Photocatalysis: Fenton and photo-Fenton ................................................................... ...................... 49 

3.5. AOPs as “Green” Chemical Processes......................................................................................................................53 

References to Chapter 3 ........................................................ .................................................................. ......................... 57 

CHAPTER 4. Environmental and Economic Assessment by means of L ife Cycle Tools ......................................... 61 

4.1. Fundamentals of Life Cycle Assessment ...................................................................... ............................................. 63 

4.2. LCA Applied to Chemical Products and Processes ........................................................................... ........................ 69 

4.3. Streamlined LCA........................................................................................................................................................72 

4.4. Life Cycle Costing ................................................................... ..................................................................... .............. 75 

4.5. Integration of LCA and LCC ....................................................................... ................................................................ 81  

4.6. Previous Environmental Assessments of AOPs for Wastewater Treatment .............................................................. 87 

References to Chapter 4 ........................................................ .................................................................. ......................... 89 

CHAPTER 5. Streamlined Life Cycle and Cost Assessment of different Advanced Oxidation Processes for Wastewater Treatment ..................................................................... ...................................................................... ......... 95

5.1. Goal and Scope .................................................................... ....................................................................... .............. 97 

5.2. Inventory Analysis....................................................................................................................................................110  

5.3. Life Cycle Impact Assessment ........................................................................ ......................................................... 113  

5.4. Cost Assessment .............................................................. ........................................................................... ............ 120 

5.5. Integration of Environmental Impact and Cost ..................................................................... .................................... 122 

5.6. Conclusions and Recommendations........................................................................................................................124 

References to Chapter 5.................................................................................................................................................127  

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Appendix 5.1. Life Cycle Impact Assessment tables............................... ........................................................................ 129 

CHAPTER 6. Life Cycle and Cost Assessment of a Coupled Advanced Oxidation-Biological Process for Wastewater Treatment ..................................................................... ................................................................ ............. 133

6.1. The CADOX Project.................................................................................................................................................137 

6.2. Goal and Scope .................................................................... ....................................................................... ............ 144  

6.3. Inventory Analysis for Baseline Alternatives ......................................................................... ................................... 164 

6.4. Life Cycle Impact Assessment for Baseline Alternatives .................................................................... ..................... 182 

6.5. Sensitivity Analysis on Activated Carbon Production and Regeneration..................................................................187 

6.6. Environmental Impact of Solar Photocatalysis as a Function of UV Light Available ................................................ 192 

6.7. Assessment of Measures for Environmental Improvement......................................................................................196 

6.8. Cost Assessment .............................................................. ........................................................................... ............ 205 

6.9. Integration of Environmental Imp