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Data for Intrinsic DAC calculations
Results of calculations and simulations for the Intrinsic Direct Air Capture analysis of Metal Organic Framwork (MOF) sorbents.Includes Grand Canonical Monte Carlo (GCMC) simulations, predictions of the Specific Heat Capacities (CV), and Intrinsic Direct Air Capture (DAC) calculations for MOF sorbents.
Complete Metadata
| @type | dcat:Dataset |
|---|---|
| accessLevel | public |
| accrualPeriodicity | irregular |
| bureauCode |
[
"006:55"
]
|
| contactPoint |
{
"fn": "Austin McDannald",
"hasEmail": "mailto:austin.mcdannald@nist.gov"
}
|
| description | Results of calculations and simulations for the Intrinsic Direct Air Capture analysis of Metal Organic Framwork (MOF) sorbents.Includes Grand Canonical Monte Carlo (GCMC) simulations, predictions of the Specific Heat Capacities (CV), and Intrinsic Direct Air Capture (DAC) calculations for MOF sorbents. |
| distribution |
[
{
"title": "Data for Intrinsic DAC calculations",
"accessURL": "https://doi.org/10.5281/zenodo.14452152",
"description": "Results of calculations and simulations for the Intrinsic Direct Air Capture analysis of Metal Organic Framwork (MOF) sorbents.Includes Grand Canonical Monte Carlo (GCMC) simulations, predictions of the Specific Heat Capacities (CV), and Intrinsic Direct Air Capture (DAC) calculations for MOF sorbents."
},
{
"mediaType": "application/gzip",
"downloadURL": "https://data.nist.gov/od/ds/ark:/88434/mds2-3687/DAC_data.tar.gz"
},
{
"mediaType": "text/plain",
"downloadURL": "https://data.nist.gov/od/ds/ark:/88434/mds2-3687/DAC_data.tar.gz.sha256"
},
{
"mediaType": "application/gzip",
"downloadURL": "https://data.nist.gov/od/ds/ark:/88434/mds2-3687/IntrinsicDACCycle-0.0.2.tar.gz"
},
{
"mediaType": "text/plain",
"downloadURL": "https://data.nist.gov/od/ds/ark:/88434/mds2-3687/IntrinsicDACCycle-0.0.2.tar.gz.sha256"
},
{
"mediaType": "text/plain",
"downloadURL": "https://data.nist.gov/od/ds/ark:/88434/mds2-3687/README.txt"
},
{
"mediaType": "text/plain",
"downloadURL": "https://data.nist.gov/od/ds/ark:/88434/mds2-3687/README.txt.sha256"
}
]
|
| identifier | ark:/88434/mds2-3687 |
| keyword |
[
"Direct Air Capture",
"MOFs",
"Machine Learning",
"Solid Sorbents",
"Thermodynamics"
]
|
| landingPage | https://data.nist.gov/od/id/mds2-3687 |
| language |
[
"en"
]
|
| license | https://www.nist.gov/open/license |
| modified | 2024-12-13 00:00:00 |
| programCode |
[
"006:045"
]
|
| publisher |
{
"name": "National Institute of Standards and Technology",
"@type": "org:Organization"
}
|
| theme |
[
"Materials:Modeling and computational material science"
]
|
| title | Data for Intrinsic DAC calculations |
