Modeling of adsorption of CO2 in the deformed pores of MIL-53(Al)
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3281-4
Abstract: Molecular simulations were performed to predict CO2 adsorption in flexible metal-organic frameworks (MOFs). A generic force field was fitted to our experimental data to describe the non-bonded (electrostatic and van der Waals) interactions between CO2… read more here.
Keywords: adsorption; force field; co2 deformed; co2 ... See more keywords
Novel combinatorial extensions to breakthrough curve modeling of an adsorption column — Depth filtration hybrid process
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Industrial and Engineering Chemistry"
DOI: 10.1016/j.jiec.2020.03.015
Abstract: Abstract This work introduces novel scenarios for the breakthrough curve modeling of an adsorption column/depth filtration hybrid system. Four well-known theoretical breakthrough models including Thomas, Adams–Bohart, Yoon–Nelson, and BDST were employed to describe the normalized… read more here.
Keywords: adsorption; modeling adsorption; breakthrough curve; curve modeling ... See more keywords
Analytical modeling of adsorption isotherms for pristine and functionalized carbon nanotubes as gas sensors
Sign Up to like & getrecommendations! Published in 2023 at "International Journal of Materials Research"
DOI: 10.1515/ijmr-2021-8712
Abstract: Abstract The modeling of experimental data for adsorption is a very important means of predicting the mechanism of various adsorption systems. The experimental data for variation of conductivity of pristine and SnO2 functionalized single walled… read more here.
Keywords: adsorption; carbon nanotubes; analytical modeling; experimental data ... See more keywords
Modeling Adsorption of CO2 in Rutile Metallic Oxide Surfaces: Implications in CO2 Catalysis
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28041776
Abstract: CO2 is the most abundant greenhouse gas, and for this reason, it is the main target for finding solutions to climatic change. A strategy of environmental remediation is the transformation of CO2 to an aggregated… read more here.
Keywords: adsorption; adsorption co2; modeling adsorption; rutile metallic ... See more keywords