1. Green Chemical Process Primary Categories Sub-CategoriesDefinitions Techniques (where applicable) Metrics R. Paulson 9-22-09

2. OUTLINE Existing Categories General Categories For Organization that Incorporate Existing Categories for Discussion

3. Existing Categories SPREADSHEET CATEGORIES Materials Efficiency Raw Materials Used Waste Produced Materials Efficiency Narratives Energy Efficiency Raw Materials OVERALL CATEGORIES Materials Efficiency Water Energy Waste Raw Materials Process Safety End of Life Innovation

4. Outline: General Categories –(1) Materials Green Goal: “Greener Chemical Process Materials Utilized Efficiently” –(2) Energy Green Goal: “Greener-Sustainable-Renewable Energy Utilized Efficiently” –(3) Water Green Goal: “Greener-Sustainable-Renewable Water Utilized Efficiently” –(4) Prevent Waste-Pollution-Green House Gases Green Goal: “Greener Waste and Pollution Minimized or Eliminated; Minimize or Eliminate Green House Gases” –(5) Safety Green Goal: “Safe Chemical Processes” –(6) Innovation Green Goal: “Continual Improvement for Greener Chemical Processes – New Solutions” –(7) Sustainability Green Goal: “Sustainable Green Chemical Processes”

5. 1. Materials MaterialsCategory (1) - Materials Green Goal: “Greener Chemical Process Materials Used Efficiently” Material Sub-Categories –Base Materials Sustainable Materials Acquisition –Process Materials (“Chemistry” / Formulation / Fabrication) Process Materials Efficiency (atom efficiency; mass efficiency) –Process Support Materials (“Chemistry” / Formulation / Fabrication) –Material Type - Raw New Materials –In-organic Material Categories (list typical material categories; other) –Bio-Materials; Organic Materials (new carbon) –Organic Materials (old carbon – fossil sources) –Other Used Materials –Reused Materials –Recycled Containing Materials

6. 1. Materials (cont.) Define Green Materials –Green Chemical Characteristic (GCC) “End Points” Health, Safety, Ecology “End Points” Renewability (bio-materials, bio-degrade, compost, reuse, recycle) “End Points” This a section in the standard –Life Cycle Characteristic “End Points” Unit Chemical Product –Amount Embodied Materials / Energy / Water / Solid-Waste / Waste-Water / Air-Pollution / Green-House-Gases “End Points” –Green / Sustainable / Renewable »Definitions for each “End Point” provided in this standard »Note: GCC “End Points” for Material Chemicals May Also Be Used for Waste/Pollution/GHG Chemicals And/Or Regulatory Definitions (RCRA, TSCA, CWA, CAA, OSHA,SDWA, HMTA, SARA Lists etc) –Materials Acquisition LCA “End Points” BEES Habitat Destruction Factor (for mining, harvesting etc.)

7. 1. Materials (cont.) Metrics –Process Materials Efficiency (“Chemistry”, Formulation, Fabrication) atom efficiency; mass efficiency From Prior Work (spreadsheet): –PMI = (A + B + S)/(P + Q) –RME = 1/(1+Em) = (ε)(AE)[1+(ε(AE)[c + s + ω])/((SF)(mp))]-1 –kg product/kg materials utilized –Carbon Efficiency (product C x100/reactant C) George Thompson add equations that fit 12 principles G-Chem –Incorporate as required (this section and other sections) »Process Mass Intensity (PMI) = kg inputs / kg product »Effective Mass Yield = kg product / kg non-benign reagents »Carbon Efficiency = (Product C) x 100 / Reactant C »Atom Economy = Mol.Wt. Product x 100 x (sum Mol.Wts. of All Reactants) »Reaction Mass Efficiency (RME) = kg Product x 100/sum Reactant kg »Environmental Quotient (EQ) = e-Factor x (sum of Waste hazard quotients) »Eco Scale = 100 - (sum of 6 parameter penalty points) –Profile the LCA “End Points” (w/GCC and or Regulations as Required) –Per Unit Chemical Product Embodied Materials and Resulting Embodied Energy / Water / Solid Waste / Liquid Waste / Air Pollution / Green House Gases –For Base Materials (pending data availability) –For Process Materials (calculate; measure) –For Process Support Materials (calculate; measure; retrieve) ----------------------------------- “Total” LCA “End Points” –Compare to Baseline or Feasible Options

8. 2. Energy Category (2) - Energy –Green Goal: “Greener Renewable Sustainable Energy Utilized Efficiently” Energy Sub-Categories (“Chemistry”, –Chemical Process (“Chemistry”, Formulation, Fabrication) (“Chemistry”, –Chemical Process Support (“Chemistry”, Formulation, Fabrication) Base Energy Purchased or Generated On Site –Equipment –Facility –Transportation

9. 2. Energy (cont.) Define Greener Renewable Sustainable Energy –See Energy Team Definition for This Standard (Definition May Need Work) –Life Cycle Characteristic “End Points” Unit Chemical Product –Amount Embodied Energy and Resulting Amount Embodied Materials / Water / Solid-Waste / Waste-Water / Air-Pollution / Green-House- Gases “End Points” –Green / Sustainable / Renewable »Definitions for each “End Point” provided in the standard »Note: GCC “End Points” for Material Chemicals May Also Be Used for Waste/Pollution/GHG Chemicals And/Or Regulatory Definitions (Air Pollution; CAA; Criteria Pollutants, GHG & HAPS) –Energy Acquisition / Generation Green Renewable Sustainable Energy (See Definition) –LCA “End Points” »Note: Air Pollution and GHG Provided Via Web Site DOE Calculator for all USA Utilities

10. 2. Energy (cont.) Metrics Process Energy (“Chemistry,” Formulation, Fabrication) –Efficiency; Minimal to Ambient Temperature and Pressure –Equations; Measurements? Profile the LCA “End Points” –Unit Chemical Product Embodied Energy and Resulting Embodied Materials / Water / Solid Waste / Liquid Waste / Air Pollution / Green House Gases GCC/Regulations and or Sustainability Definition (for water and energy) –For Process Energy (calculate; measure) –For Process Support Energy (calculate; measure; retreive) ----------------------------------- “Total” LCA “End Points” Compare to Baseline or Feasible Options

11. 3. Water WaterCategory (3) - Water –Green Goal: “Greener Sustainable Renewable Water Utilized Efficiently” Water Sub-Categories –Chemical Process (“Chemistry,” Formulation, Fabrication) –Chemical Process Support (“Chemistry,” Formulation, Fabrication) Base Water Purchased or Treat/Reuse On Site –Equipment –Facility

12. 3. Water (cont.) Define Greener Renewable Sustainable Water –See Water Team Definition (good definition) –Life Cycle Characteristic “End Points” Unit Chemical Product –Amount Embodied Water and Resulting Amount Embodied Materials / Energy / Solid-Waste / Waste-Water / Air-Pollution / Green-House- Gases “End Points” –Green / Sustainable / Renewable »Definitions for each “End Point” provided in the standard »Note: GCC “End Points” for Material Chemicals May Also Be Used for Waste/Pollution/GHG Chemicals And/Or Regulatory Definitions (CSW; RCRA; BOD, COD, TSS, TDS, Color etc) –Water Acquisition / Re-use Green Renewable Sustainable Water (See Definition) –LCA “End Points”

13. 3. Water (cont.) Metrics Process Energy (“Chemistry,” Formulation, Fabrication) –Efficiency –Equations; Measurements? Profile the LCA “End Points” –Per Unit Chemical Product Embodied Water and Resulting Embodied Materials / Water / Solid Waste / Liquid Waste / Air Pollution / Green House Gases GCC/Regulations and or Sustainability Definition (for water and energy) –For Process Water (calculate; measure) –For Process Support Energy (calculate; measure; retrieve) ----------------------------------- “Total” LCA “End Points” Compare to Baseline or Feasible Options

14. 4. Prevent Waste-Pollution-GHG’s Prevent Waste/Pollution/Green-House-GasesCategory (4) - Prevent Waste/Pollution/Green-House-Gases –Green Goal: “Greener Waste and Pollution Minimized or Eliminated; Eliminate or Minimize Green House Gases” Sub-Categories –Chemical Process (“Chemistry,” Formulation, Fabrication) –Chemical Process Support (“Chemistry,” Formulation, Fabrication) Equipment Facility

15. 4. Prevent Waste/Pollution/GHG’s (cont.) –Define Waste Solid Waste –Non-hazardous –Hazardous - RCRA, Other Regulations; “Containerized Waste” –Green Chemical Characteristics (health, safety, ecology, renewability) Liquid Waste –Non-hazardous (ok sewer) –Hazardous; RCRA, CWA, Other Regulations; “Industrial Waste” –Green Chemical Characteristics (health, safety, ecology, renewability) –Define Air Pollution Air Emissions –Non-hazardous; –Hazardous; CAA (Criteria Pollutants; HAPS); OSHA –Green Chemical Characteristics (health, safety, ecology, renewability) –Define Green House Gases List Types (Co2, Methane, etc) List Conversion to Co2 Equivalent

16. 4. Prevent Waste/Pollution/GHG’s (cont.) Define Prevention or Prevent Priority Order –(1) Source Reduction (Inputs) Materials / Energy / Water Greener (GCC) and Minimize Amount Required –Materials = See Materials Section –Energy = See Energy Section –Water = See Water Section –Prevent Waste/Pollution/GHG Techniques –Techniques Source Reduction of Waste Green Chemistry Principles –(GCP) 1 through 10 apply Green Engineering Principles –GEP ? - ? apply; Techniques Other –List

17. 4. Prevent Waste/Pollution/GHG’s (cont.) (2a) Re-use and Recycle (output) –Greener and Minimize/Eliminate Through Reuse and Recycling Greener (GCC (Health, Safety, Ecology, Renewability) ) Minimize Via Reuse and Recycle –Solid Waste (see definition) –Liquid Waste (see definition) –Air Pollution / Green House Gases (see definition) »Not Typical to Reuse or Recycle –Techniques Reuse and or Recycle of Waste Green Chemistry Principles –GCP ? Green Engineering Principles –GEP ? Other

18. 4. Prevent Waste/Pollution/GHG’s (cont.) (2b) Biodegrade/Compost (output) –Greener and Minimize/Eliminate Through Bio-degrade and Compost Greener (GCC (Health, Safety, Ecology, Renewability) ) Minimize Via Bio-degrade and Compost –Solid Waste (see definition) –Liquid Waste (see definition) –Air Pollution / Green House Gases (see definition) »Not Typical to Bio-degrade or Compost –Techniques Bio-degrade or Compost of Waste Green Chemistry Principles –GCP ? Green Engineering Principles –GEP ? Other

19. 4. Prevent Waste/Pollution/GHG’s (cont.) (3a) Air Controls and or Offsets (output) –Greener and Minimize/Eliminate Through Air Controls and or Offsets Greener (GCC (Health, Safety, Ecology, Renewability) ) Minimize Via Air Controls or Offsets –Air Pollution –Green House Gases (see definition) –Doesn’t Apply to Solid and Liquid Waste –Techniques Air Controls and Offsets Green Chemistry Principles –GCP ? Green Engineering Principles –GEP ? Other

20. 4. Prevent Waste/Pollution/GHG’s (cont.) (3b) Treatment/ Disposal (output) –Greener and Minimize/Eliminate Through Treatment and Disposal Greener (GCC (Health, Safety, Ecology, Renewability) ) Minimize Via Treatment and Disposal –Solid Waste (see definition) –Liquid Waste (see definition) –Techniques Treatment and Disposal Green Chemistry Principles –GCP ? Green Engineering Principles –GEP ? Other

21. 4. Prevent Waste-Pollution-GHG’s Metrics???? (additional for Green Chemical and Engineering Principles???) –Process Materials Efficiency (“Chemistry”, Formulation, Fabrication) atom efficiency; mass efficiency From Prior Work (spreadsheet): –PMI = (A + B + S)/(P + Q) –RME = 1/(1+Em) = (ε)(AE)[1+(ε(AE)[c + s + ω])/((SF)(mp))]-1 –kg product/kg materials utilized –Carbon Efficiency (product C x100/reactant C) George Thompson add equations that fit 12 principles G-Chem –Incorporate as required (this section and other sections) »Process Mass Intensity (PMI) = kg inputs / kg product »Effective Mass Yield = kg product / kg non-benign reagents »Carbon Efficiency = (Product C) x 100 / Reactant C »Atom Economy = Mol.Wt. Product x 100 x (sum Mol.Wts. of All Reactants) »Reaction Mass Efficiency (RME) = kg Product x 100/sum Reactant kg »Environmental Quotient (EQ) = e-Factor x (sum of Waste hazard quotients) »Eco Scale = 100 - (sum of 6 parameter penalty points) –Profile the LCA “End Points” (w/Green Chemical Characteristics (GCC) Unit Chemical Product –Base Materials and the Energy / Water / Solid Waste / Liquid Waste / Air Pollution / GHG –For Process Materials / Energy / Water / Solid Waste / Liquid Waste / Air Pollution / GHG –For Process Support Materials ----------------------------------- “Composite Total” LCA “End Points” With Green Chemical Characteristics/Regulations As Required. –Compare to Baseline or Feasible Options

22. 5. Safety SafetyCategory (5) - Safety –Green Goal: “Safe Chemical Processes” Safety Sub-Categories –Chemical Processes Safety –Chemical Process Support Equipment Facilities Define Safety –Safe –Spill Prevention –Accident Prevention Metrics –??? –Green Chemical Process Calculation Technique Provided for Standard ? See Team Prior Work Techniques –Green Chemistry and Engineering Applicable Principles –Other

23. 6. Innovation Innovation Category (6) - Innovation –Green Goal: Continual Improvement for Greener Chemical Processes – New Solutions” Safety Sub-Categories –Chemical Processes Safety –Chemical Process Support Equipment/Facilities Define Innovation –Continual Improvement for Greener Chemical Processes Metrics –Unit Green Product Unit Chemical Product –Base Materials and the Energy / Water / Solid Waste / Liquid Waste / Air Pollution / GHG –For Process Materials / Energy / Water / Solid Waste / Liquid Waste / Air Pollution / GHG –For Process Support Materials ----------------------------------- “Composite Total” LCA “End Points” With Green Chemical Characteristics/Regulations As Required. Compare to Baseline and or Feasible Options

24. 7. Sustainability SustainabilityCategory (7) - Sustainability –Green Goal: “Sustainable Chemical Processes” Define Sustainability –Triple Bottom Line Environment; Quality of Life/Product; Economics –Triple Upper Line Principles; Policies; Priorities Sustainability –Base Materials –Chemical Processes –Chemical Process Support Equipment Facilities Metrics –TBL Environmental Checklist Quality Chemical Product for Quality of Life Checklist Economics Checklist –TUL Principles/Policies/Priorities Checklist