BIOSYNTH: A software for the automatic generation of superstructures for biorefineries National Technical University of Athens 1 RENESENG MTR meeting

Industrial Process Systems Engineering Unit Biomass 14/10/2015RENESENG MTR meeting 2 Biomass is abundant Chemistries converting biomass to useful products are abundant Which paths suit the biomass of interest? Which are the most economic, sustainable and technically- reliable paths?

Industrial Process Systems Engineering Unit Wanting to valorise biomass but 14/10/2015RENESENG MTR meeting 3 No knowledge of technologies and chemistries -various possible products: chemicals, fuels, energy, value-added chemicals, building block chemicals etc. -various technologies (chemical, biological, thermal) No knowledge of data -cost of equipment, installation -prices of products, intermediates and raw materials -CO 2 emissions from a particular process -Supply and distribution data

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 4 Value chain trees given feedstock/ product Evaluation & selection of optimal path Scope to integrate paths Models with mass/energy balance Cost models Systems Engineering can offer Synthesis Model Bio-feedstock Auxiliary materials Energy & Utilities Products Waste/ by-products

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 5 How to bring systems engineering models closer to the non-expert?

Industrial Process Systems Engineering Unit BIOSYNTH platform overview 14/10/2015RENESENG MTR meeting 6 Synthesis Model Model Chemistries Technology models Biomass Prices Product Prices Technology Ontology Techno-economic simulating model

Industrial Process Systems Engineering Unit How it works 14/10/2015RENESENG MTR meeting 7 Possible products & paths are reviewed Value chains are translated to synthesis models Optimisation is applied to select path Suitable technologies are chosen for the selected feedstock Value chains are automatically developed Results are shared with the non-expert Non-expert selects feedstock

Industrial Process Systems Engineering Unit Synthesis Approach 14/10/2015RENESENG MTR meeting 8

Industrial Process Systems Engineering Unit Synthesis components 14/10/2015RENESENG MTR meeting 9 Intermediate Chemicals Syngas Methanol Biogas Pyrolysis Oil Products Ethylene Raw Materials Wood Residues Plant Oil Animal FatsProcess Pyrolysis Refirming MTO Synthesis Indirect Gasification Direct Gasification Cracking Anaerobic Digestion

Industrial Process Systems Engineering Unit Connecting Process Concept Blocks 14/10/2015RENESENG MTR meeting 10 a) A process connects Raw Materials Intermediate Chemicals b) A process connects Products Intermediate Chemicals Example Wood Chips Indirect Gasification syngas Hydrogenolysi s Propylene Glycol propylene

Industrial Process Systems Engineering Unit Raw materials to final Products 14/10/2015RENESENG MTR meeting 11 Connecting Process Concept Blocks Wood Chips Direct Gasification syngas methanol Methanol Synthesis Syngas Methanol Syngas produces Methanol via methanol synthesis WoodchipsSyngas Woodchips produce Syngas via direct gasification

Industrial Process Systems Engineering Unit Enable Synthesis using Ontology Engineering 14/10/2015RENESENG MTR meeting 12

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 13 Wood Chips Direct Gasification syngas methanol Methanol Synthesis Feedstock Technology Intermediate Technology Product Synthesis to Ontology Engineering

Industrial Process Systems Engineering Unit Relations connecting classes 14/10/2015RENESENG MTR meeting 14 Feedstock Technology Intermediate Technology Product is processed with has output produced by processed through is processed with has output processed through produces can lead to has input produced by

14/10/2015 RENESENG MTR meeting 15 Non-expert user has municipal solid waste (MSW), what is possible to produce? ? An example

Industrial Process Systems Engineering Unit Step 1: All possible synthesis paths are first identified 14/10/2015RENESENG MTR meeting 16 Biogas Syngas methanol MTO propyl ene Anaerobic Digestion Biogas Reforming Methanol Synthesis Path 1 Anaerobic Digestion Biogas Biogas Reforming Syngas Syngas Reforming NH3 Anaerobic Digestion Biogas Reforming Syngas Reforming Path 2 Anaerobic Digestion Biogas Biogas Reforming Syngas Alcohol Synthesis ethylene Mixed Alcohols Anaerobic Digestion Biogas Reforming Alcohol Synthesis Path 3 Anaerobic Digestion ethylene Biogas Biogas Reforming Syngas Syngas fermentation ethanol Dehydration Anaerobic Digestion Biogas Reforming Path 4 MSW

Industrial Process Systems Engineering Unit Step 2: Value Chains are automatically developped 14/10/2015RENESENG MTR meeting 17 MSW Anaerobic Digestion Biogas Biogas Reforming Syngas Methanol Synthesis Syngas Reforming Alcohol Synthesis Syngas fermentation methanol MTO propylene NH3 ethylene Mixed Alcohols ethanol Dehydration

Industrial Process Systems Engineering Unit The non-expert user is informed of: 14/10/2015RENESENG MTR meeting 18 propylene NH3ethylene 1) Possible products derived from MSW 2) Possible intermediates derived from MSW and can act as products methanol Biogas Syngas ethanol 3) And the full value chain of MSW to possible products

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 19 The user can inquire which is the most economically viable path to select. ?

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 20 Step 3: Value Chains are translated to synthesis models propylene MSW Anaerobic Digestion Biogas Biogas Reforming Syngas Methanol Synthesis Syngas Reforming Alcohol Synthesis Syngas fermentation methanol MTO NH3 ethylene Mixed Alcohols ethanol Dehydration Technology Chemical (feedstock, intermediate, product) A technology synthesis model requires data for: Yields Energy requirements CO2 emissions Capital & Operating Costs A chemical synthesis model requires data for: Chemical prices CO2 emissions Data are extracted from linked database

Industrial Process Systems Engineering Unit Step 4: From Synthesis Models to Optimisation 14/10/2015RENESENG MTR meeting 21 Variables Equations Parameters Optimisation achieves the identification of the most economically viable path. This is enabled by mathematical programming (MILP)

Industrial Process Systems Engineering Unit Step 5: Results shared with the user: 14/10/2015RENESENG MTR meeting 22 Most optimum path (selected technologies and chemicals) Total annual cost/ profit Optimum biomass flowrate Optimum product flowrate

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 23 DEMO Case A ►Selecting only raw materials

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 24 Case B ►Selecting only products DEMO

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 25 Case C ►Selecting raw materials & products DEMO

Industrial Process Systems Engineering Unit 14/10/2015RENESENG MTR meeting 26 Case D ►Selecting raw materials, products and intermediates as products DEMO

14/10/2015 RENESENG MTR meeting27 Thank you We greatly acknowledge the financial support by the Marie- Curie Grant RENESENG (ITN ). National Technical University of Athens