Dataset for CO2 purification via a zeolite material

Ruth Bello; Eleni A. Kyriakidou; Eric A. Walker

doi:10.1016/j.rsurfi.2023.100177

Dataset for CO₂ purification via a zeolite material

Department of Chemical and Biological Engineering

SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

Abstract

In this work, data is collected on a series of impurities and carbon dioxide (CO₂) adsorbing on silver (Ag) ion-exchanged SSZ- 13 zeolites. Density functional theory (DFT) calculations are used to obtain the adsorption energies of CO₂ and these impurities in the CO₂ stream. Pure CO₂ can be used in food and beverage production, enhanced oil recovery (EOR) and as feedstock for methanol or urea production. The impurities are oxygen (O₂), water (H₂O), dimethyl sulfide (DMS, C₂H₆S), hydrogen sulfide (H₂S), carbonyl sulfide (COS) and sulfur dioxide (SO₂). In order to design effective adsorbent materials, the fundamental hypothesis of adsorption on to Ag ion exchange sites in SSZ-13 zeolites is tested.

Original language	English
Article number	100177
Journal	Results in Surfaces and Interfaces
Volume	14
DOIs	https://doi.org/10.1016/j.rsurfi.2023.100177
State	Published - Feb 1 2024

Keywords

Adsorption
CO utilization
Density functional theory
Separation
Silver ion-exchange
Small pore zeolite

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10.1016/j.rsurfi.2023.100177

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title = "Dataset for CO2 purification via a zeolite material",

abstract = "In this work, data is collected on a series of impurities and carbon dioxide (CO2) adsorbing on silver (Ag) ion-exchanged SSZ- 13 zeolites. Density functional theory (DFT) calculations are used to obtain the adsorption energies of CO2 and these impurities in the CO2 stream. Pure CO2 can be used in food and beverage production, enhanced oil recovery (EOR) and as feedstock for methanol or urea production. The impurities are oxygen (O2), water (H2O), dimethyl sulfide (DMS, C2H6S), hydrogen sulfide (H2S), carbonyl sulfide (COS) and sulfur dioxide (SO2). In order to design effective adsorbent materials, the fundamental hypothesis of adsorption on to Ag ion exchange sites in SSZ-13 zeolites is tested.",

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T1 - Dataset for CO2 purification via a zeolite material

AU - Bello, Ruth

AU - Kyriakidou, Eleni A.

AU - Walker, Eric A.

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N2 - In this work, data is collected on a series of impurities and carbon dioxide (CO2) adsorbing on silver (Ag) ion-exchanged SSZ- 13 zeolites. Density functional theory (DFT) calculations are used to obtain the adsorption energies of CO2 and these impurities in the CO2 stream. Pure CO2 can be used in food and beverage production, enhanced oil recovery (EOR) and as feedstock for methanol or urea production. The impurities are oxygen (O2), water (H2O), dimethyl sulfide (DMS, C2H6S), hydrogen sulfide (H2S), carbonyl sulfide (COS) and sulfur dioxide (SO2). In order to design effective adsorbent materials, the fundamental hypothesis of adsorption on to Ag ion exchange sites in SSZ-13 zeolites is tested.

AB - In this work, data is collected on a series of impurities and carbon dioxide (CO2) adsorbing on silver (Ag) ion-exchanged SSZ- 13 zeolites. Density functional theory (DFT) calculations are used to obtain the adsorption energies of CO2 and these impurities in the CO2 stream. Pure CO2 can be used in food and beverage production, enhanced oil recovery (EOR) and as feedstock for methanol or urea production. The impurities are oxygen (O2), water (H2O), dimethyl sulfide (DMS, C2H6S), hydrogen sulfide (H2S), carbonyl sulfide (COS) and sulfur dioxide (SO2). In order to design effective adsorbent materials, the fundamental hypothesis of adsorption on to Ag ion exchange sites in SSZ-13 zeolites is tested.

KW - Adsorption

KW - CO utilization

KW - Density functional theory

KW - Separation

KW - Silver ion-exchange

KW - Small pore zeolite

UR - https://www.scopus.com/pages/publications/85182185518

U2 - 10.1016/j.rsurfi.2023.100177

DO - 10.1016/j.rsurfi.2023.100177

M3 - Article

AN - SCOPUS:85182185518

SN - 2666-8459

VL - 14

JO - Results in Surfaces and Interfaces

JF - Results in Surfaces and Interfaces

M1 - 100177

ER -

Dataset for CO₂ purification via a zeolite material

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Keywords

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