Tracking carbon dioxide adsorbate intramolecular dynamics in pure silica zeolite Silicalite-1 by in situ Raman scattering.
Dimitar V TzankovPeter A GeorgievPublished in: Physical chemistry chemical physics : PCCP (2024)
We report a series of high-quality Raman spectra of carbon dioxide (CO 2 ) adsorbed at room temperature and at various equilibrium pressures, sampling the corresponding adsorption isotherm up to 1 2 bar. The observed splitting in Fermi diad resonance lines, which were additionally split into two well-resolved components, arising from at least two different CO 2 species, were compared to the same quantity in high-pressure gas/solid/liquid CO 2 phases. Our studies provide material specific spectral data that could be useful in the detection, identification, and dynamical characterization of CO 2 deposits, inclusions, or other forms in remote locations and of various origins, e.g. geological, planetary, stellar, and deap-sea sediments.
Keyphrases
- carbon dioxide
- room temperature
- ionic liquid
- label free
- energy transfer
- density functional theory
- molecular dynamics
- aqueous solution
- heavy metals
- optical coherence tomography
- raman spectroscopy
- electronic health record
- loop mediated isothermal amplification
- molecular dynamics simulations
- big data
- real time pcr
- case control
- polycyclic aromatic hydrocarbons
- computed tomography
- machine learning
- magnetic resonance
- data analysis
- artificial intelligence