Cover
Related Titles
Title Page
Copyright
List of Contributors
Preface
Chapter 1: Green Chemistry Metrics
1. 1.1 Introduction and General Considerations
2. 1.2 Feedstocks
3. 1.3 Chemicals
4. 1.4 General Chemistry Considerations and Chemistry Metrics
5. 1.5 Evolution of Green Chemistry Metrics
6. 1.6 Andraos: Tree Analysis
7. 1.7 Process Metrics
8. 1.8 Product Metrics
9. 1.9 Sustainability and Green Chemistry
10. 1.10 Making Decisions
11. References
Chapter 2: Expanding Rational Molecular Design beyond Pharma: Metrics to Guide Safer Chemical Design
1. 2.1 Introduction to Safer Chemical Design
2. 2.2 Life Cycle Thinking
3. 2.3 Attributes of Chemicals of Good Character
4. 2.4 Tools for Characterizing the Attributes of Chemicals of Good Character
5. 2.5 A Decision Framework
6. 2.6 The Road Ahead: Training of a Twenty-First Century Chemist
7. References
Chapter 3: Key Metrics to Inform Chemical Synthesis Route Design
1. 3.1 Introduction
2. 3.2 Material Efficiency Analysis for Synthesis Plans
3. 3.3 Case Study I: Bortezomib
4. 3.4 Case Study II: Aspirin
5. References
Chapter 4: Life Cycle Assessment
1. 4.1 Introduction
2. 4.2 The Evolution of Life Cycle Assessment
3. 4.3 LCA Methodology at a Glance
4. 4.4 Measuring Greenness with LCI/A – Applications
5. 4.5 Final Remarks
6. References
Chapter 5: Sustainable Design of Batch Processes
1. 5.1 Introduction
2. 5.2 State of the Art
3. 5.3 Framework for Design and Retrofitting in Batch Processes
4. 5.4 Case Studies
5. 5.5 Conclusions
6. References
Chapter 6: Green Chemistry Metrics and Life Cycle Assessment for Microflow Continuous Processing
1. 6.1 Introduction
2. 6.2 Environmental Analysis through Green Chemistry Metrics and Life Cycle Assessment
3. 6.3 Application of Green Chemistry Metrics and Life Cycle Assessment to Assess Microflow Processing
4. 6.4 Economic Analysis and Snapshot on Applications with Continuous Microflow Processing
5. 6.5 Conclusions and Outlook
6. References
Chapter 7: Benchmarking the Sustainability of Biocatalytic Processes
1. 7.1 Introduction
2. 7.2 Biocatalytic Processes
3. 7.3 Biocatalytic Process Design and Development
4. 7.4 Sustainability of Biocatalytic Processes
5. 7.5 Quantitative Measuring of the Sustainability of Biocatalytic Processes
6. 7.6 Early Stage Sustainability Assessment
7. 7.7 Benchmarking
8. 7.8 Examples
9. 7.9 Future Perspectives
10. 7.10 Concluding Remarks
11. References
Chapter 8: How Chemical Hazard Assessment in Consumer Products Drives Green Chemistry
1. 8.1 Introduction
2. 8.2 What Drives Consumer Product Companies to Look for Less Hazardous Chemical Ingredients
3. 8.3 What is Chemical Hazard Assessment?
4. 8.4 How Chemical Hazard Assessment is Used
5. 8.5 Case Studies Showing How CHA Leads to Safer Consumer Products
6. 8.6 Challenges: Beyond Chemical Hazard Assessment
7. 8.7 Conclusion
8. References
Chapter 9: Tying it all Together to Drive Sustainability in the Chemistry Enterprise
1. 9.1 New Areas of Sustainable and Green Chemistry Metrics Research
2. References
Index
End User License Agreement

List of Illustrations

Figure 2.1
Figure 2.2
Figure 3.1
Figure 3.2
Scheme 3.1
Figure 3.3
Scheme 3.2
Figure 3.4
Figure 3.5
Scheme 3.3
Scheme 3.4
Scheme 3.5
Scheme 3.6
Scheme 3.7
Scheme 3.8
Scheme 3.9
Scheme 3.10
Figure 3.6
Figure 3.7
Figure 3.8
Figure 3.9
Figure 3.10
Scheme 3.11
Scheme 3.12
Figure 3.11
Figure 3.12
Figure 3.13
Scheme 3.13
Figure 4.1
Figure 4.2
Figure 4.3
Figure 4.4
Figure 4.5
Figure 4.6
Figure 4.7
Figure 4.8
Figure 4.9
Figure 4.10
Figure 4.11
Figure 5.1
Figure 5.2
Figure 5.3
Figure 5.4
Figure 5.5
Figure 5.6
Figure 5.7
Figure 5.8
Figure 5.9
Figure 6.1
Scheme 6.1
Figure 6.2
Figure 6.3
Figure 6.4
Figure 6.5
Scheme 6.2
Figure 6.6
Figure 6.7
Figure 6.8
Figure 6.9
Figure 6.10
Figure 6.11
Scheme 6.3
Scheme 6.4
Figure 6.12
Figure 6.13
Figure 6.14
Figure 6.15
Figure 6.16
Figure 6.17
Figure 6.18
Figure 6.19
Figure 6.20
Figure 6.21
Figure 6.22
Figure 6.23
Figure 6.24
Figure 6.25
Figure 6.26
Figure 6.27
Figure 6.28
Figure 7.1
Figure 7.2
Figure 7.3
Figure 7.4
Figure 7.5
Figure 7.6
Figure 7.7
Figure 8.1
Figure 8.2
Figure 8.3
Figure 8.4
Figure 8.5
Figure 8.6
Figure 8.7
Figure 8.8
Figure 8.9

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Edited by David J. Constable and Concepción Jiménez-González

Handbook of Green Chemistry

Volume 11: Green Metrics

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The Deutsche Nationalbibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data are available on the Internet at <http://dnb.d-nb.de>.

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Print ISBN: 978-3-527-32644-0
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List of Contributors

Nicholas D. Anastas

US Environmental Protection Agency

National Risk Management Research Laboratory

5 Post Office Square

Boston, MA 02109-3912

USA

John Andraos

CareerChem

504-1129 Don Mills Road

Toronto, ON M3B 2W4

Canada

Ana Isabel Carvalho

University of Lisbon

Instituto Superior Técnico

Centre for Management Studies (CEG-IST)

Av. Rovisco Pais

1049-001 Lisboa

Portugal

David J.C. Constable

ACS Green Chemistry Institute 1155 16th Street, N.W. Washington, DC 20036

USA

Stephen C. DeVito

US Environmental Protection Agency

Data Quality and Analysis Branch

Toxics Release Inventory Program

Mail code 7410M

1200 Pennsylvania Avenue NW

Washington, DC 20460

USA

Michael A. Gonzalez

Emerging Chemistry and Engineering Branch

Land and Materials Management Division

Life Cycle Assessment Center of Excellence

and

US EPA Office of Research and Development

National Risk Management Research Laboratory

26 W. Martin Luther King Drive MS 483

Cincinnati, OH 45268

USA

Lauren Heine

Northwest Green Chemistry

8108 S Krell Ridge

Spokane, WA 99223

USA

Andrei Hent

University of Toronto

Department of Chemistry

80 St. George St.

Toronto, ON M5S 3H6

Canada

Volker Hessel

Eindhoven University of Technology

Micro Flow Chemistry and Process Technology

Laboratory of Chemical Reactor Engineering

P.O. Box 513

5600 MB Eindhoven

The Netherlands

Concepción Jiménez-González

GlaxoSmithKline

Global Manufacturing and Supply

5 Moore Dr

Research Triangle Park, NC 27709-3398

USA

John Leazer

US Food & Drug Administration

Northeast Food and Feed Laboratory 158-15 Liberty Avenue

Jamaica, NY 11433

USA

Tânia Pinto-Varela

University of Lisbon

Instituto Superior Técnico

Centre for Management Studies (CEG-IST)

Av. Rovisco Pais

1049-001 Lisboa

Portugal

Qi Wang

Eindhoven University of Technology

Micro Flow Chemistry and Process Technology

Laboratory of Chemical Reactor Engineering

P.O. Box 513

5600 MB Eindhoven

The Netherlands

Margaret H. Whittaker

ToxServices LLC

1367 Connecticut Avenue, NW

Washington, DC 20036

USA

John M. Woodley

Technical University of Denmark (DTU)

Department of Chemical and Biochemical Engineering

Søltofts Plads

2800 Lyngby

Denmark

Lihua Zhang

Eindhoven University of Technology

Micro Flow Chemistry and Process Technology

Laboratory of Chemical Reactor Engineering

P.O. Box 513

5600 MB Eindhoven

The Netherlands

and

Kunming University of Science and Technology

Faculty of Metallurgical and Energy Engineering

650093 Kunming

China

Preface

Although there has been much activity in sustainability, green chemistry, and engineering since we started working in these areas in the early 1990s, there is still considerably more progress that needs to be made. While it is true that there has been a significant amount of research into more sustainable chemistries and processes, there is continuing debate about how to measure sustainability.

The reason for the continuing debate in part stems from the origins of green chemistry and engineering. Green chemistry and engineering initially stemmed from general principles that were intended to prompt people to proactively think about how to develop more sustainable products and processes in a way that avoided increased regulations. However, the principles lacked a standard structure to measure success. In other words, there were no rigorous scientific frameworks to evaluate aims and progress. This is not uncommon in many new fields of science and technology, and typically these frameworks evolve over time as the field matures.

Thankfully, there has been considerable progress and there is now a deeper more precise understanding of what is meant by “green chemistry” and “green engineering.” Even with the progress to date, there is still much work to be done. Sustainability, green chemistry, and green engineering are inherently complex concepts in which a single metric approach is not only insufficient but also misleading, and a multivariate approach is required. If several aspects of sustainability are not simultaneously assessed, one runs the risk of taking the wrong decision by missing trade-offs, ignoring other impacts, or miscalculating the comprehensive sustainability impacts and benefits associated with a process, product, or service.

Unfortunately, not everyone is comfortable with or trained in using a multivariate approach. Thus, some researchers still either claim that it is impossible to assess the sustainability profile of something or insist that taking a single metric approach is valid. We understand the allure of a single mythical metric that would easily, accurately, and precisely guide all decisions as in a “A is better than B” white and black outcome. It is enticing to justify new innovations focusing on a single metric (e.g., global warming potential) forgetting about other effects that may be trade-offs (e.g., toxicity, water scarcity). However, complex, interrelated systems are rarely simple, and designing processes and products is inherently complex, requiring a rigorous, systematic, and systemic approach. In addition, the potential environmental, health, and safety implications make it essential to evaluate different impacts, particularly as they are closely interrelated. To truly drive more sustainable chemical processes, it is imperative to evaluate them from a systems standpoint, which necessarily calls for a range of complementary metrics.

Given the inherent complexity, the communication of green chemistry metrics for effective use is an ongoing challenge that will require continuous attention, as one can easily either overcomplicate or oversimplify the results. All of this can be overwhelming, and could drive any organization to play catch up with developments in the external environment. With additional developments in artificial intelligence, machine learning, data analytics, and data visualization, we expect that some of the challenges of using and communicating sustainability metrics will be solved in due course. In the meantime, as the application of green chemistry and engineering metrics becomes more ingrained in standard processes, it helps to have examples of application.

Our motivation to work on this book is precisely to highlight the evolution of green chemistry and engineering metrics, including practical examples of a multivariate approach. We aim to provide a survey of the current approaches, particularly focusing on application examples of the robust use metrics. This survey could be used as a baseline for the next generation of sustainability metrics that may benefit from more developed data analytics and visualization. We hope that the examples presented here will motivate the community to continuously improve the quest for more sustainable products and processes.

Green Chemistry Institute
American Chemical Society
Washington, DC, USA

David J. Constable

GlaxoSmithKline
Corporate Environment, Health and Safety
Raleigh, NC, USA

Concepción Jiménez-González