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TPS_Usable_Hydrogen_Storage_Capacity_GCMC
Usable hydrogen storage capacities of 98,695 MOFs for the temperature+pressure swing between 100bar/77K and 5bar/160K calculated via Grand Canonical Monte Carlo simulations.
Header terms:
- CSD refc. = CSD Refcode
- DB Acr. = Database Acronym
- GT = Generic Identity
- Calc. Type = Calculation Type
- Density = Density in units of gram per cubic centimeter
- GSA = Gravimetric Surface Area in units of square meter per gram
- VSA = Volumetric Surface Area in units of square meter per cubic centimeter
- VF = Void Fraction
- PV = Pore Volume in units of cubic centimeter per gram
- LCD = Largest Cavity Diameter in units of Angstrom
- PLD = Pore Limiting Diameter in units of Angstrom
- UG at TPS = Usable Gravimetric Hydrogen Capacity for the temperature+pressure swing between 100bar/77K and 5bar/160K in units of weight percent
- UV at TPS = Usable Volumetric Hydrogen Capacity for the temperature+pressure swing between 100bar/77K and 5bar/160K in units of gram hydrogen per liter
- CSFT = Crystal Structure File Type
- CSA = Crystal Structure Availability
The Data Explorer view lets you explore these data using a grid, you can filter the data, create graphs using any of the columns in the file.
Resource Metadata
| metadata modified | 6 years ago |
|---|---|
| resource comments | Version 2.0 |
| Last updated | March 27, 2019 |
|---|---|
| Created | February 23, 2019 |
| Format | XLSX |
| License | No License Provided |
