Molecular-level CO2 adsorption behavior in amine-modified sorbents within a controlled CO2/H2O environment

This dataset supports the study \"Discerning molecular-level CO2 adsorption behavior in amine-modified sorbents within a controlled CO2/H2O environment towards direct air capture\", in which solid-state NMR spectroscopy was employed to elucidate CO2 adsorption from dilute, humidified CO2 streams onto an amine-modified benchmark direct air capture (DAC) adsorbent. The dataset includes 1D 1H/13C MAS, 2D 1H-13C HETCOR NMR, and 1H R2/R1ρ relaxometry, which reveal the influence of H2O on CO2 adsorption behavior. The results demonstrate the stepwise formation of ammonium carbamate, carbamic acid, and physisorbed CO2 as a function of CO2 concentration. Additionally, relaxation studies reveal both pore opening associated with sorbent swelling and varied H2O adsorption.
, , , # Data from: Molecular-level CO2 adsorption behavior in amine-modified sorbents within a controlled CO2/H2O environment

[https://doi.org/10.5061/dryad.h70rxwdsx](https://doi.org/10.5061/dryad.h70rxwdsx)

This dataset includes solid-state NMR data to report qualitative 1H and 13C, quantitative13C results under dry and humid conditions (30% RH and 80% RH), and time-resolved CPMG echo train decays to report time-dependent R2 in water of benchmark sorbent materials.

\## Description of the data and file structure

1\. **Solid-state NMR_coadsorption** contains solid-state NMR data on both 1H and 13C nuclei. The experiments were conducted at high magnetic fields with magic angle spinning (MAS).

The folder structure provides essential information on the experimental setup.

* The subfolder starting with “**Lewatit_activated..**” represents activated materials, followed by the observed nuclei and measurement method.

- The subfolder starting with “**Lewatit_D2O_activated..**” represents mater...,