Green Chemistry: Possibilities for the Next Generation Eric Beckman - - PowerPoint PPT Presentation
Green Chemistry: Possibilities for the Next Generation Eric Beckman Mascaro Center for Sustainable Innovation Chemical Engineering Dept. University of Pittsburgh The Mascaro Center for Sustainable Innovation Slide 1 Green Chemistry: 20 Years
Slide 1 The Mascaro Center for Sustainable Innovation
Eric Beckman Mascaro Center for Sustainable Innovation Chemical Engineering Dept. University of Pittsburgh
Slide 2 The Mascaro Center for Sustainable Innovation
Green Chemistry: 20 Years and counting.. 1998 Presidential Green Chemistry Awards (1996)
Slide 3 The Mascaro Center for Sustainable Innovation
Green Chemistry: 20 Years on!
reduction
–! new ways to look at toxicity, –! tractable tools for life cycle analysis, –! New technology, –! profound changes within the business & investment community.
Slide 4 The Mascaro Center for Sustainable Innovation
New Ways to Look at Toxicity [from E.J. Calabrese, EMBO Rep. (2004),
5 (special issue), s37-s40]
Response Control Dose
A
Response Dose Control
B
Traditional view, the dose makes the poison, with and without a threshold value! !carcinogens and radiation assumed to have no threshold
Endocrine disruption, Epigenetics
Slide 5 The Mascaro Center for Sustainable Innovation
New Ways to Look at Toxicity [from E.J. Calabrese, EMBO Rep. (2004),
5 (special issue), s37-s40]
Response Control Dose
A
Response Dose Control
B
Control Dose Response
(normal function)
C
Control Response
(dysfunction)
Dose
D
Newer ways to look at toxicity; U and J curves
Endocrine disruption, Epigenetics
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Life Cycle Analysis Becomes a Viable Tool
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TRACI: Tool for the Reduction and Assessment of Chemical and other Environmental Impacts
pollutants
See Jane Bare, et al., J. Industr. Ecol. 2003, 6, 49
Slide 8 The Mascaro Center for Sustainable Innovation
TRACI: Tool for the Reduction and Assessment of Chemical and other Environmental Impacts
pollutants
See Jane Bare, et al., J. Industr. Ecol. 2003, 6, 49
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New Technology: Bio-based materials
Ecovative Design; materials from mushrooms
Solazyme’s Bio-oils
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The Cleantech Sector Didn’t Really Exist Prior to 2000
1 2 3 4 5 6 7 8 9 2000 2005 2010 2015 Investment in USD, billions Year
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Themes for Today
Design
–!Completely integrated molecular design for chemical products –!Resilient chemical generation via distributed synthesis –!Molecular “services” –!CO2-based chemical systems
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Market Conditions Competitive Landscape Customer Discovery; Desired Customer Outcomes
+ +
Opportunity
Concept
Design(s) (manifestations of the concept) D1, D2, !..Dn
Opportunity, Concept Creation & Design
Specifications
Slide 13 The Mascaro Center for Sustainable Innovation Concept & Opportunity sound, No H&S red flags?
Market Conditions Competitive Landscape Customer Discovery; Desired Customer Outcomes
+ +
Opportunity
Design(s) D1, D2, !..Dn
Designs meet performance and health & safety specs? Potential for Greatly Improved Health & Safety Outcomes
+
Concept
Health & safety heuristics, life cycle thinking Green design rubrics Performance Specs
Adding “Green” Thinking to the Process
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(from Ullman, The Mechanical Design Process, 2010).
% of costs
Time
Committed Expended
Concept Phase 80% of costs are committed during the concept phase, while only 5-7% are expended
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It is well known that although only 5–7% of the entire product cost is attributable to early design, the decisions made during this stage lock in 70–80% of the total product cost 12. Correspond- ingly, one can hypothesize the same to be the case for environ- mental impacts. That is, whether or not a product is relatively sustainable is largely determined during the early design stage. Due to high levels of uncertainty regarding design embodiments
Embedded Impacts Take Shape During the Concept Formation Stage (Ramani, et al., 2010, J. Mech.
Design 132(8),1-8)
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Why Innovation: Dealing with Trade-offs
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Comparative LCA: Ingeo biopolymer, PET, and PP Drinking Cups, PE Americas (2009)
5.2.1 PRIMARY ENERGY DEMAND - NON RENEWABLE RESSOURCES
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Work at the Concept Formation Stage Let Their Wants & Needs Drive Brainstorming
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–!Products and services are solutions –!Tangible, emotional, social
but they don’t want hazard.
perspective.
what we’ve always made.
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Customer desired outcome is no bacteria on surfaces
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Desired outcome is no bacteria
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Sharklet Technologies (Aurora, CO) patterned surface
Shark skin: Very low surface frictional drag;
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Numerous Surface Concepts
– Figure 6.
Siedenbiedel & Teller, Polymers (2012)
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Concepts can be chemical or “non-chemical” Xenex’s “Violet” robot in an OR at UPMC
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Example: Desired customer outcome = “no bacteria on surfaces” Concept 1: = “anti-bacterial spray” Design 1A = spray of triclosan + ethanol Design 1B = spray of lactic acid/water Concept 2: “Anti-bacterial surface” Design 2A = ammonium chloride-functional acrylic coating Design 2B = Coating impregnated with silver nanoparticles Design 2C = shark scale mimic (Sharklet, Aurora, CO) Concept 3: “Radiation” Design 3A = UV emitting robot
Concept versus Design
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Desired outcome is “color”
The current method is to employ synthetic organic dyes, mixed-metal pigments (Fe, Cr, Ni, Sb, Ti, Co, Zn)
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Desired Outcome: A soft pliable material safe for use in toys
Dow INFUSE™ Olefin Block Copolymers; bulk density (0.87 g/cm3) 30% lower than that for plasticized PVC P.S. Chum & K.W. Swogger, Progr. Polym. Sci. (2008), 33, 797-819
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Desired Outcome = Clean Clothes Detergent Degradable Detergent Cold-water Detergent
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Perhaps No Detergent: Cleaning with Beads
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Perhaps No Cleaning? Stain- resistant clothing Disposable Clothing?
Self-Cleaning Clothing
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> Completely integrated molecular design for chemical products > Resilient chemical generation via distributed synthesis
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Traditional plant engineering: integration of various unit
Reactors, Columns, Heat Exchangers, Pumps, etc.
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Ultimately an optimized plant is designed
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Now, with advances in computing power, undergraduate engineering students can design plants
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Provided they have access to ASPEN or HYSIS or another process simulator
Slide 36 The Mascaro Center for Sustainable Innovation
Provided they have access to ASPEN or HYSIS or another process simulator
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Plants can be designed, costed, and visualized if the fundamentals are available or even if they’re not
With capital and operating costs, energy use, raw material needs and waste.
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Computationally-Supported Product Design
Computational Process Synthesis Computational Formulation Design Computational Life Cycle Impact Analysis Computationally
toxicology & ecotoxicology Computational Molecular Design
Green Product Design
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Computational Toxicology: Voutchkova, et al., PNAS (2014)
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minnow
towards Daphnia Magna
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Distributed Manufacturing & Green Chemistry?
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Power Generation: Kids, don’t try this at home
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3D Printing – The Ultimate Distributed Manufacturing?
Manufacturing (and sometimes design) by the individual customer
Slide 43 The Mascaro Center for Sustainable Innovation
3D Printing (aka Additive Manufacturing):
Distributed production – no shipping or packaging?
plastic, ll.
Figure 6. CED showing a typical watering can in PLA and ABS, and values for the spout in conventional PLA and ABS at 100% fill and distributed PLA and ABS at 100% fill, along with the effect of PV electricity.
10.1021/sc400093k
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Chemical Manufacturing: The Conventional Wisdom
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Reducing Risk Via Armoring
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Garland, Tx, 2012 Mitsui Chemicals (Japan), 2015 Louisiana, 2013 Sufficiently commonplace that we almost don’t notice
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Chlorine spill, Graniteville, SC (2005)
(Dunn & Oswalt, Northern Arizona University)
January 6, 2:40 AM
Someone forgets to toggle a line switch
Freight train leaves main line onto spur at 47 mph
Freight train crashes into parked train on spur, 3 engines and 18 cars derail
60 tons of Cl2 released
9 dead, 550 to hospitals
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Distributed Synthesis: Why & How
–! Desire for personalization –! Resilience/safety
distributed synthesis?
–! Safe building blocks and products –! Selective chemistry, high yield –! Minimize separations (byproduct as benefit) –! Programmable –! No solvent or entirely benign solvent
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Burke & colleagues, Nature Chem 2014
Me Me Me Me Me Me Me Me Me Me Me Me Me Me Me Me Me Me Me Me Me Me I L B A D C F E H G K J N M O
A B C D E F G H I J K L M N O 100 200 300 400 500 600 700 800 900 1,000 Number of natural products Polyene motif
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Burke & colleagues, Nature Chem 2014
MeN O O B O O MeN O O B O O Br MeN O O B O O Br Me MeN O O B O O MeN O O B O O I MeN O O B O O I Me MeN O O B O O Br MeN O O B O O I MeN O O B O O I Me MeN O O B O O I MeN O O B O O I MeN O O B O O I Me Br Me Br BB1 BB2 BB3 BB4 BB5 BB6 BB7 BB8 BB9 BB10 BB11 BB12 Me Me Me Me Mea
MeN O O B O O X MeN O O B O O MIDA HO2C Me N CO2H C O B O Me Me Me Me Pinacol HO HO Me Me Me Me Cross-coupling Deprotectionb
D Slide 51 The Mascaro Center for Sustainable Innovation
Burke & colleagues, Nature Chem 2014
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Cronin and colleagues, 2013
Combining 3D printing and liquid handling to produce user-friendly reactionware for chemical synthesis and purification†
Philip J. Kitson, Mark D. Symes, Vincenza Dragone and Leroy Cronin*
Cite this: Chem. Sci., 2013, 4, 3099Chemical Science
EDGE ARTICLE
View Article Online
View Journal | View Issue Slide 53 The Mascaro Center for Sustainable Innovation
Future Chemistry? Chemicals for personal care a possible target?
Programmable, personalized, and safe
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Next Gen for Academia?
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Academia: Let’s say you’re a student who wants to learn about green chemical product design.
Chemistry (Chem.) Product Design (ME) Project Mgmt. (IE, Bus.) Process Design (Chem. Eng.) Toxicology (Pub. Health) LCIA (Civil Eng.)
Courses & Departments
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Computationally-Supported Product Design
Computational Process Synthesis Computational Formulation Design Computational Life Cycle Impact Analysis Computationally
toxicology & ecotoxicology Computational Molecular Design
Green Product Design
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What academia can do
design
engineering UG’s to explore entrepreneurial
easily work across silos.
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Summary
sea change in the way the chemical enterprise operates.
changes in our digital & home lives, the same should hold true for green chemistry in the next 20 years.
chemical (business) enterprise.
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“It's tough to make predictions, especially about the future.” Yogi Berra