Lukas Spiekermann

Last Name

Spiekermann

First Name

Lukas

ORCID

0000-0002-9946-1725

Organisational unit

09696 - Bardow, André / Bardow, André

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Publications1 - 10 of 10

Feeding Brightway with data – Automated data extraction from chemical process simulations into LCA software
Spiekermann, Lukas; Sewani, Hitesh; Lochmann, Sebastian; et al. (2025)
Mitigating climate change requires the development of new chemical processes (Shukla et al., 2022). Confirming their climate benefits requires life cycle assessment (LCA). Still, in practice, LCAs of chemical processes are often conducted by manually extracting data from process simulation software and transferring it to LCA tools (Köck et al., 2023). This manual approach is time-consuming, susceptible to human error (Azzaro-Pantel et al., 2022), and may overlook process flows that appear negligible but can substantially affect the environmental impacts (Rosental et al., 2020). Here, we present the tool ALCHEMIA (Automated Life Cycle extraction from cHEMical process models Into Assessments) that addresses these challenges by automatically connecting chemical process simulations with the Brightway environment (Mutel, 2017). A graphical user interface facilitates mapping process streams to life cycle inventories, while data handling is performed in the background. We demonstrate the tool based on bio-based and CO2-based process studies available in the literature. These studies are implemented in several flow sheeting software packages, including Aspen Plus, Aspen HYSYS, and AVEVA Process Simulation. We show the rapid generation of LCA results based on existing process simulation studies and highlight the importance of holistic LCA to account for all relevant streams. Overall, ALCHEMIA streamlines data handling in LCA of chemical process simulations by unlocking automated data transfer to the LCA software environment Brightway.
Higher alcohol = higher value? Identifying Promising and Unpromising Synthesis Routes for 1-Propanol
Spiekermann, Lukas; McKenna, Mae; Bosetti, Luca; et al. (2025)
ESCAPE|35: Book of Short Papers
In response to climate change, the chemical industry is investigating the synthesis of new platform chemicals from renewable carbon sources. A potential higher-value platform chemical is 1-propa nol. 1-propanol can be produced from CO2 and biomass via various routes, but their respective benefits and disadvantages are unclear. Here, we aim to identify promising synthesis routes for 1-propanol production and establish de velopment targets for competitiveness with benchmark technologies. To evaluate their cost-ef fectiveness and climate impacts, we expand a technology choice model of chemical synthesis routes by thermo-catalytic, electrocatalytic, and fermentation-based synthesis steps to produce 1-propanol from CO2, biomass feedstocks, and fossil resources. While the model accounts for var ious intermediates, the direct conversion of CO2 or CO to 1-propanol is a growing research field and, thus, the focus of our analysis. A comprehensive techno-economic analysis and a life cycle assessment quantify new synthesis routes' economic and environmental potentials. Our findings define performance targets for the competitiveness of the direct conversion of CO2 or CO to 1-propanol via thermo-catalytic hydrogenation or electrocatalysis. If these performance targets remain unachieved, the direct synthesis of 1-propanol is outperformed by multi-step pro cesses based on syngas and ethylene from CO2 or biomass. Overall, our study demonstrates the critical role of synthesis route optimization in guiding the de velopment of new chemical processes. By establishing quantitative benchmarks, we provide a roadmap for advancing 1-propanol synthesis technologies, contributing to the broader effort of reducing the chemical industry's carbon footprint.
Computer-aided molecular refrigerant design for adsorption chillers based on classical density functional theory and PC-SAFT
Mayer, Fabian; Spiekermann, Lukas; Rueben, Lisa; et al. (2024)
Computers & Chemical Engineering
Adsorption chillers are a promising technology for sustainable cooling. The performance of adsorption chillers is highly influenced by the selection of the refrigerant. Still, systematic selection of refrigerants is challenging because evaluating adsorption properties requires significant experimental or simulation efforts. Thus, refrigerant design options are often limited. Here, we propose a systematic refrigerant design method for adsorption chillers assessing refrigerants based on their process performance. Our method quantifies adsorption isotherms by 1-dimensional classical density functional theory (DFT) based on the PC-SAFT equation of state. The method is used to screen over 1800 refrigerants based on their coefficient of performance (COP). We identify refrigerants with higher COPs than commonly used refrigerants and highlight the advantage of a process-based objective function over material based heuristic selection criteria. Finally, we advance from screening to computer-aided molecular design of the refrigerant, leveraging the efficiency of the DFT model to explore the molecular design space systematically.
Computergestützter Entwurf von Kältemitteln für Adsorptionskältemaschinen basierend auf Dichtefunktionaltheorie und PC-SAFT
Mayer, Fabian; Spiekermann, Lukas; Rueben, Lisa; et al. (2021)
Thermodynamik-Kolloquium 2021. Book of Abstracts
How to Synthesize 1-Propanol? Catalyst Development Targets from Environmental and Economic Supply Chain Optimization
Spiekermann, Lukas; McKenna, Mae; Bosetti, Luca; et al. (2025)
Integrating CO2 Electrolyzers in Electrochemical Plants: Heat Integration, Techno-Economic Analysis, and Life Cycle Assessment of the Production of 1-Butene from CO2
Spiekermann, Lukas; Lee, Mi Gyoung; Wicks, Joshua; et al. (2024)
2024 AIChE Annual Meeting Proceedings
Efforts to mitigate climate change have increased interest in utilizing CO2 as a sustainable feedstock within the chemical industry [1]. Recent progress in electrochemical CO2 reduction, facilitated using renewable electricity sources, presents a promising avenue for synthesizing valuable C2+ chemicals [2]. While the initial focus has been on the development of electrolyzers, recent research has broadened to include process design and downstream separation techniques [3]. However, the question remains how to integrate feedback from process design back into electrolyzer development. This work introduces a feedback loop from process design to electrolyzer development. The loop combines process modeling, heat integration, techno-economic analysis, and life cycle assessment. The resulting workflow is demonstrated for the CO2 electroreduction to ethylene and subsequent dimerization to 1-butene [4]. From the analysis, we derive development targets for CO2 electrolyzers. We assess the significance of cell voltage and Faradaic efficiency, highlighting that single-pass conversion minimally impacts overall process feasibility. Moreover, we emphasize the benefits of integrating electrolyzers with downstream and upstream units. In summary, we combine electrolyzer development and process systems engineering perspectives by bridging the scales from electrolyzers to integrated processes with economic and sustainability objectives. This study illustrates the integration of a process-oriented approach into technology advancement for an electrified chemical industry.
Automating Life Cycle Assessment from Chemical Process Simulations
Spiekermann, Lukas; Sewani, Hitesh; Lochmann, Sebastian; et al. (2024)
Advancing sustainability requires knowledge on the environmental impacts of chemicals. For this purpose, life cycle assessment is the preferred method, but usually carried out by manually extracting data from process simulation software and transferring data to life cycle assessment software. This process is very labor-intensive and error-prone. Here, we bridge the gap between process simulation and life cycle assessment by automated data extraction from process simulators to life cycle assessment software. Our tool currently links the process simulators Aspen Plus, Aspen HYSYS, and AVEVA Process Simulation to the open-source tools Brightway/Activity Browser for life cycle assessment. The tool is exemplified using openly available case studies and simulation files for bio-based and CO2-based processes. Simulation studies can be combined to, e.g., integrated CO2 capture and utilization chains within life cycle assessment software. Our tool directly integrates process simulations results into life cycle inventory databases with easy workflows and could thereby enable the generation of more life cycle assessments of chemical processes.
Computer-aided molecular design of working fluids for adsorption heat pumps based on density functional theory and PC-SAFT
Mayer, Fabian; Spiekermann, Lukas; Rueben, Lisa; et al. (2022)
Bridging the Scales from Catalyst Synthesis to Sustainable Processes: CO2 Hydrogenation to Methanol
Spiekermann, Lukas; Pinheiro Araújo, Thaylan; Seiler, Jan; et al. (2023)
How to produce 1-butene from CO2 electroreduction? Targets from techno-economic analysis and life cycle assessment
Spiekermann, Lukas; Lee, Mi Gyoung; Wicks, Joshua; et al. (2024)

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Lukas Spiekermann

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