Effects of Structure and Composition of Adsorbents on Competitive Adsorption of Gaseous Emissions: Experiment and Modeling

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F23%3A10251586" target="_blank" >RIV/61989100:27640/23:10251586 - isvavai.cz</a>

Alternative codes found

RIV/61989100:27710/23:10251586 RIV/61989100:27730/23:10251586

Result on the web

<a href="https://www.mdpi.com/2079-4991/13/4/724" target="_blank" >https://www.mdpi.com/2079-4991/13/4/724</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/nano13040724" target="_blank" >10.3390/nano13040724</a>

Result language

angličtina

Original language name

Effects of Structure and Composition of Adsorbents on Competitive Adsorption of Gaseous Emissions: Experiment and Modeling

Original language description

Dangerous gases arising from combustion processes must be removed from the air simply and cheaply, e.g., by adsorption. This work is focused on competitive adsorption experiments and force field-based molecular modeling of the interactions at the molecular level. Emission gas, containing CO, NO, SO2, and CO2, was adsorbed on activated carbon, clay mineral, silicon dioxide, cellulose, or polypropylene at two different temperatures. At 20 oC, activated carbon had the highest NO and SO2 adsorption capacity (120.83 and 3549.61 µg/g, respectively). At 110 oC, the highest NO and SO2 adsorption capacity (6.20 and 1182.46 µg/g, respectively) was observed for clay. CO was adsorbed very weakly, CO2 not at all. SO2 was adsorbed better than NO, which correlated with modeling results showing positive influence of carboxyl and hydroxyl functional groups on the adsorption. In addition to the wide range of adsorbents, the main novelty of this study is the modeling strategy enabling the simulation of surfaces with pores of controllable sizes and shapes, and the agreement of the results achieved by this strategy with the results obtained by more computationally demanding methods. Moreover, the agreement with experimental data shows the modeling strategy to be a valuable tool for further adsorption studies.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10400 - Chemical sciences

Project

<a href="/en/project/EF19_073%2F0016945" target="_blank" >EF19_073/0016945: Doctoral grant competition VŠB - TU Ostrava</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2023

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Nanomaterials

ISSN

2079-4991

e-ISSN

2079-4991

Volume of the periodical

13

Issue of the periodical within the volume

4

Country of publishing house

CH - SWITZERLAND

Number of pages

17

Pages from-to

1-17

UT code for WoS article

000941770500001

EID of the result in the Scopus database

2-s2.0-85149038553