Life cycle inventory data generation by process simulation for conventional, feedstock recycling and power-to-X technologies for base chemical production

The article presents the methodology and applicable data for the generation of life cycle inventory for conventional and alternative processes for base chemical production by process simulation. Addressed base chemicals include lower olefins, BTX aromatics, methanol, ammonia and hydrogen. Assessed processes include conventional chemical production processes from naphtha, LPG, natural gas and heavy fuel oil; feedstock recycling technologies via gasification and pyrolysis of refuse derived fuel; and power-to-X technologies from hydrogen and CO2. Further, process variations with additional hydrogen input are covered. Flowsheet simulation in Aspen Plus is applied to generate datasets with conclusive mass and energy balance under uniform modelling and assessment conditions with available validation data. Process inventory data is generated with no regard to the development stage of the respective technology, but applicable process data with high technology maturity is prioritized for model validation. The generated inventory data can be applied for life cycle assessments. Further, the presented modelling and balancing framework can be applied for inventory data generation of similar processes to ensure comparability in life cycle inventory data.