(564a) Molecular-Level Kinetic Model Informed Life Cycle Analysis of Green Diesel Production

The drive to reduce our reliance on petrodiesel coupled with the advent of new environmental policies and economics has prompted the production of green diesel as an alternative, sustainable fuel. In this study, a molecular-level kinetic model was used to investigate the impact of changing feedstock composition and reaction conditions on the life cycle analysis of green diesel. The kinetic model simulates a fixed bed hydrotreating unit that includes the detailed triglyceride and free fatty acid hydroprocessing chemistry to produce paraffin-rich diesel range fuels. Linear free-energy relationships and literature data were used to reduce and tune the parameters of the LHHW rate laws allowing for product cloud point and cetane number property calculations. The product green diesel has excellent combustion properties but poor cold-flow properties, so hydrocracking severity was used to regulate end use and value of the green diesel. The process inputs and outputs were used in Argonne National Laboratoryâ??s Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model to evaluate greenhouse gas emissions of green diesel compared to petrodiesel. Scenario testing was performed to study the relative emission reduction for the different reaction conditions.