Delaware Energy Institute
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Browsing Delaware Energy Institute by Author "Ierapetritou, Marianthi"
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Item Accelerating manufacturing for biomass conversion via integrated process and bench digitalization: a perspective(Reaction Chemistry and Engineering, 2022-01-25) Batchu, Sai Praneet; Hernandez, Borja; Malhotra, Abhinav; Fang, Hui; Ierapetritou, Marianthi; Vlachos, Dionisios G.We present a perspective for accelerating biomass manufacturing via digitalization. We summarize the challenges for manufacturing and identify areas where digitalization can help. A profound potential in using lignocellulosic biomass and renewable feedstocks, in general, is to produce new molecules and products with unmatched properties that have no analog in traditional refineries. Discovering such performance-advantaged molecules and the paths and processes to make them rapidly and systematically can transform manufacturing practices. We discuss retrosynthetic approaches, text mining, natural language processing, and modern machine learning methods to enable digitalization. Laboratory and multiscale computation automation via active learning are crucial to complement existing literature and expedite discovery and valuable data collection without a human in the loop. Such data can help process simulation and optimization select the most promising processes and molecules according to economic, environmental, and societal metrics. We propose the close integration between bench and process scale models and data to exploit the low dimensionality of the data and transform the manufacturing for renewable feedstocks.Item Process intensified lauric acid self-ketonization and its economic and environmental impact on biolubricant base oil production(Green Chemistry, 2024-07-03) Goculdas, Tejas; Yuliu, Zhifei; Sadula, Sunitha; Zheng, Weiqing; Saha, Basudeb; Nanduri, Arvind; Ierapetritou, Marianthi; Vlachos, Dionisios G.Lubricant base oils, traditionally derived from non-renewable petroleum, contribute significantly to greenhouse gas emissions. In contrast, oils sourced from furfural and long-chain ketones through aldol condensation and hydrodeoxygenation present a renewable, cost-effective, and environmentally friendly alternative, offering superior cold flow properties. However, the production of long-chain ketones, a crucial component, currently relies on solvent dewaxing in refineries, which is costly and non-selective. One promising biobased approach involves self-ketonization of long-chain fatty acids derived from coconut or palm kernel oils. This method typically employs high boiling point solvents like dodecane or is done in a batch configuration, limiting its scale and industrial viability. This study addresses this bottleneck by eliminating solvents, transitioning to a continuous flow reactor, and achieving kilogram-scale production of long-chain ketones with exceptional selectivity (90%). The lab-scale setup can yield up to 25 kg of 12-tricosanone per month, utilizing earth-abundant MgO as a catalyst. The catalyst underwent slight deactivation due to carbonate formation. Catalyst stabilization, using mixed metal oxides, and regeneration via simple calcination in air are also discussed. Techno-economic analysis (TEA) indicates a 29% lower minimum selling price than the commercial synthetic poly alpha olefin (PAO). Life cycle assessment (LCA) evaluates the global warming potential (GWP) under different environmental assumptions. Under the carbon-neutral assumption for lauric acid production, an 8.9% reduction in GWP was achieved compared to petroleum-based lubricants.