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

Florian Keller; Patricio Mamani Soliz; Ludwig Georg Seidl; Roh Pin Lee; Bernd Meyer

doi:10.1016/j.dib.2022.107848

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

Data Brief. 2022 Jan 20:41:107848. doi: 10.1016/j.dib.2022.107848. eCollection 2022 Apr.

Authors

Florian Keller¹, Patricio Mamani Soliz¹, Ludwig Georg Seidl¹, Roh Pin Lee^{1

2}, Bernd Meyer^{1

3}

Affiliations

¹ TU Bergakademie Freiberg, Institute of Energy Process Engineering and Chemical Engineering (IEC), Fuchsmühlenweg 9, 09599 Freiberg, Germany.
² Fraunhofer IMWS Branch Lab - Circular Carbon Technologies, Fuchsmuehlenweg 9, 09599 Freiberg, Germany.
³ Center for Efficient High Temperature Processes & Materials Conversion, TU Bergakademie Freiberg, Winklerstrasse 5, 09599 Freiberg, Germany.

Abstract

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.

Keywords: Life cycle inventory; Power-to-X; base chemicals; feedstock recycling; process modelling.