Pattern of adsorption isotherms in Ono–Kondo coordinates

Sumanatrakul, Panita; Abaza, S.; Aranovich, G. L.; Sangwichien, Chayanoot; Donohue, Marc D.

doi:10.1016/j.jcis.2011.11.003

Cited by 6 publications

(5 citation statements)

References 31 publications

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“…77 The latter term (ΔEcomp) describes the interaction between adjacent adsorbates. 78,79 In Furthermore, a close view of their relationship finds slight deviation from the linear fitting, with…”

Section: Fractions Of Cu Dimers Within Cu-zsm5 To Quantify the Fractmentioning

confidence: 97%

“…The direct correlations of these energetic functions are indicative of and the experimental measure of the underlying scaling relationships among the free energies of various adsorbates and transition states involved in the NO decomposition reaction in dependence of the Cu-motif atomic structures, namely more Cu dimers giving rise to more compression in the NO adsorption isotherm, reduced energy barriers for NO conversion and more favorable oxygen evolution (as compared to Cu monomers). Moreover, the better linear fitting for the correlation between Eapp and ΔEcomp than with ηCu‧‧‧Cu ( Figure S21) suggest that the secondary structural effects (e.g., Cu‧‧‧Cu distance 32,35,78,79 and Cu-O-Cu bonding angle 26,36 ), as captured by the adsorption compression energy measurements, also propagate to the catalytic reaction kinetics. The successful use of ηCu‧‧‧Cu and Ecomp to interpret the catalytic performance of Cu-ZSM5 thus bridged the low-temperature adsorption analytics and the hightemperature reaction kinetics.…”

Section: Fractions Of Cu Dimers Within Cu-zsm5 To Quantify the Fractmentioning

confidence: 99%

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Bridging adsorption analytics and catalytic kinetics for metal-exchanged zeolites

Xie

Aranovich

et al. 2021

Nat Catal

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Metal-exchanged zeolites have been widely used in industrial catalysis and separation, but fundamental understanding of their structure-property relationships has remained challenging, largely due to the lack of quantitative information concerning the atomic structures and reactionrelevant adsorption properties of the embedded metal active sites. We report on the use of lowtemperature chemisorption to titrate Cu-exchanged ZSM5. Quantitative descriptors of the atomic structures and adsorption properties of Cu-ZSM5 are established by combining atomistic simulation, DFT calculations, operando molecular spectroscopy, chemisorption and titration measurements. These descriptors are then applied to interpret the catalytic performance of Cu-ZSM5 for NO decomposition. Linear correlations are established to bridge the low-temperature adsorption analytics and high-temperature reaction kinetics, which are demonstrated to be generally applicable for understanding the structure-property relationships of metal exchanged zeolites and foregrounded for guiding the development of advanced catalytic materials.

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Section: Fractions Of Cu Dimers Within Cu-zsm5 To Quantify the Fractmentioning

confidence: 97%

Section: Fractions Of Cu Dimers Within Cu-zsm5 To Quantify the Fractmentioning

confidence: 99%

Bridging adsorption analytics and catalytic kinetics for metal-exchanged zeolites

Xie

Aranovich

et al. 2021

Nat Catal

View full text Add to dashboard Cite

show abstract

“…77 The latter term (ΔEcomp) describes the interaction between adjacent adsorbates. 78,79 In the case of NO adsorption on Cu-ZSM5, ΔEcomp is indicative of the apparent difference in free energy between Furthermore, a close view of their relationship finds slight deviation from the linear fitting, with…”

Section: Fractions Of Cu Dimers Within Cu-zsm5mentioning

confidence: 99%

“…suggest that the secondary structural effects (e.g., Cu‧‧‧Cu distance 32,35,78,79 and Cu-O-Cu bonding angle 26,36 ), as captured by the adsorption compression energy measurements, also propagate to the catalytic reaction kinetics. The successful use of ηCu‧‧‧Cu and Ecomp to interpret the catalytic performance of Cu-ZSM5 thus bridged the low-temperature adsorption analytics and the hightemperature reaction kinetics.…”

Section: Fractions Of Cu Dimers Within Cu-zsm5mentioning

confidence: 99%

Bridging Adsorption Analytics and Catalytic Kinetics for Metal-Exchanged Zeolites

Xie

Aranovich

et al. 2020

Preprint

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Metal-exchanged zeolites have been widely used in industrial catalysis and separation, but fundamental understanding of their structure-property relationships has remained challenging, largely due to the lack of quantitative information concerning the atomic structures and reaction-relevant adsorption properties of the embedded metal active sites. We report on the use of low-temperature chemisorption to titrate Cu-exchanged ZSM5. Quantitative descriptors of the atomic structures and adsorption properties of Cu-ZSM5 are established by combining atomistic simulation, DFT calculations, operando molecular spectroscopy, chemisorption and titration measurements. These descriptors are then applied to interpret the catalytic performance of Cu-ZSM5 for NO decomposition. Linear correlations are established to bridge the low-temperature adsorption analytics and high-temperature reaction kinetics, which are demonstrated to be generally applicable for understanding the structure-property relationships of metal exchanged zeolites and foregrounded for guiding the development of advanced catalytic materials.

show abstract

“…Up until now, lattice gases have been successfully applied to investigate various aspects of adsorption, for example, the effect of lateral interactions and surface topography on the adsorbent [15,16,[19][20][21], multi-component adsorption [22,23], confinement and capillary condensation in porous materials [24], hysteresis [25,26], and adsorption compression [27,28]. In particular, much effort has been devoted to the study of adsorption isotherms [6,13,[29][30][31][32][33] with the help of approximative techniques. For example, for monolayer adsorption the mean-field approximation yields the Frumkin isotherm [6] which, in the absence of lateral interactions, reduces to the Langmuir one,…”

Section: Introductionmentioning

confidence: 99%

Adsorption isotherm predicted from a lattice gas with general lateral interactions in a single-phase regime

2014

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We investigate which isotherm equation arises when a lattice gas with rather general lateral interactions is used to model an adsorption of particles on a solid surface at subcritical temperatures. For simplicity, an energetically homogeneous surface is considered, and only a single phase is assumed to be stable in the system. We show that, up to a constant, the result is a sum of terms that have the same form as the Hill isotherm or, less accurately, as the Freundlich isotherm. Each of these terms contains three types of microscopic parameters whose relation to the details of the considered lattice gas, such as its lateral interactions, is provided. We also provide a formula for the heat of adsorption and discuss the phenomenon of adsorption compression. We illustrate the results for a simple lattice gas on a triangular lattice with pair and triple interactions. Possible extensions to inhomogeneous surfaces, multi-component adsorption, and phase coexistence regions are pointed out.

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Pattern of adsorption isotherms in Ono–Kondo coordinates

Cited by 6 publications

References 31 publications

Bridging adsorption analytics and catalytic kinetics for metal-exchanged zeolites

Bridging adsorption analytics and catalytic kinetics for metal-exchanged zeolites

Bridging Adsorption Analytics and Catalytic Kinetics for Metal-Exchanged Zeolites

Adsorption isotherm predicted from a lattice gas with general lateral interactions in a single-phase regime

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