Published July 17, 2024 | Version v3
Journal article Open

A Holistic Platform for Accelerating Sorbent-Based Carbon Capture

Creators

  • 1. The Research Centre for Carbon Solutions (RCCS), School of Engineering and Physical Sciences, Heriot-Watt University, EH14 4AS Edinburgh, United Kingdom
  • 2. Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, CH-1951 Sion, Valais, Switzerland
  • 3. Laboratory of Energy and Process Systems Engineering (EPSE), ETH Zurich, 8092 Zurich, Switzerland
  • 4. Solverlo Ltd, EH42 1TL Dunbar, United Kingdom
  • 5. Institut des Matériaux Poreux de Paris, ENS, ESPCI Paris, CNRS, PSL university, Paris, France
  • 6. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States

Description

The data repository contains the following:

1. Cifs: includes all structure ".cif" files

2. Material_Properties: includes all geometric, adsorption and water properties for simulated and experimental structures

3. KPIs_Simulated: includes KPIs for all the case studies for the simulated structures

4. KPIs_Experimental: includes KPIs for all the case studies for the experimental structures

5. Optimization: includes KPIs for the optimized case studies and structurtes, and the optimal variables

6. Uncertainty: includes KPIs for material uncertainty and the input datasets

7. Flags: includes IAST checks for cement, coal and NGCC-onshore cases. It also includes the flexibility data

8. Experimental_Validation_Data: summarizes the isotherm datasets used to compare experimental and computational data

9. MIP212_NMR: contains solid-state NMR data examining the residual water in MIP-212 after activation. One dataset for activated MIP212 without deuterium exchange, and the other for activated MIP212 with deuterium exchange

Files

Cifs.zip

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md5:f78ed0bd6df8b07005192a836f672eea
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