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5 results for “Fischer-Tropsch”
Planetary boundaries analysis of Fischer-Tropsch Diesel for decarbonizing heavy-duty transport
<p>Dataset associated with the publication "Planetary boundaries analysis of Fischer-Tropsch Diesel for decarbonizing heavy-duty transport" by Margarita A. Charalambous, Juan D. Medrano-Garcia, and Gonzalo Guillén-Gosálbez, available at <a href="https://doi.org/10.1016/B978-0-323-85159-6.50328-6">https://doi.org/10.1016/B978-0-323-85159-6.50328-6</a>. The dataset includes the numeric data required to plot all the figures embedded in the manuscript.</p> <p>The structure of the dataset is here elucidated sheet by sheet:</p> <ul> <li><strong>LCA-Inventories:</strong> Inventory datasets used for life cycle assessment. Includes the inventory for the production of FT-diesel from CO<sub>2</sub> and H<sub>2</sub> sources investigated in this work, carbon dioxide from direct air capture (DAC), and point source coal power plant, as well as, the production of hydrogen from biomass and polymer electrolyte water electrolysis. Moreover, required adjustments to accommodation FT-diesel fuel in the truck transport activity are summarized.</li> <li><strong>LCA-Total</strong>: numerical values associated with the total share of safe operating space for all the assessed control variables of the seven planetary boundaries quantified in the study, for all the considered scenarios. These values represent the data used to create Figure 2.</li> <li><strong>LCA-Breakdown</strong>: numerical values associated with the breakdown of the environmental impacts for the studied scenarios, for three control variables (CO<sub>2</sub> concentration, and biosphere integrity). These values represent the data used to create Figure 3. </li> </ul>
Formation of Methanol via Fischer-Tropsch Catalysis by Cosmic Iron Sulphide
<p>This supporting material contains:</p> <ul> <li>Cartesian coordinates of the PBE optimized minima and transition states for the reactions under study, in XYZ format.</li> <li>Inputs for the <a href="https://www.cp2k.org/">CP2K</a> package.</li> <li>Vibrational calculations with all the frequencies.</li> <li>Kinetic data (RRKM).</li> </ul>
EVERGi-Brightway/Fischer-Tropsch-catalyst: Fischer-Tropsch catalyst LCI
<p>This repository contains the LCI of the life cycle of the cobalt Fischer-Tropsch catalyst described in <a href="https://doi.org/10.1021/acscatal.0c05027">https://doi.org/10.1021/acscatal.0c05027</a>. The database is in Excel format and it can be imported in a brightway2 project. The repository also contains the script to generate the prospective background database that was used in the paper "Assessment of the climate change and metal depletion impacts of a cobalt Fischer-Tropsch catalyst with prospective life cycle assessment".</p>
Supplementary data and microkinetic model for 'Key Role of CO Coverage for Chain Growth in Co-Based Fischer-Tropsch Synthesis'
<p>This repository contains:</p> <ol> <li>The DFT data (energies, frequencies and structures) of all important intermediates of the microkinetic model constructed for the publication ‘Key Role of CO Coverage for Chain Growth in Co-Based Fischer-Tropsch Synthesis’.</li> <li>Input files for the high CO coverage microkinetic model in Chemkin.</li> <li>(update 2025-06-19) Input files for the high CO coverage microkinetic model in Chemkin with CO2 activation (sim2.zip).</li> </ol> <p>DOI: <u>10.1021/acscatal.5c03024</u> and <u>10.1021/acscatal.3c04844</u></p>
INITIAL PROCESS AND SYNTHESIS GAS CONVERSION IN FISCHER-TROPSCH FUSION REACTION
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