Data for Intrinsic DAC calculations

Published by National Institute of Standards and Technology | Department of Commerce | Metadata Last Checked: September 30, 2025 | Last Modified: 2024-12-13 00:00:00

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.

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Complete Metadata

bureauCode	[ "006:55" ]
identifier	ark:/88434/mds2-3687
landingPage	https://data.nist.gov/od/id/mds2-3687
language	[ "en" ]
programCode	[ "006:045" ]
theme	[ "Materials:Modeling and computational material science" ]