A simple van’t Hoff law for calculating Langmuir constants in clathrate hydrates

Lakhlifi, A.; Dahoo, Pierre‐Richard; Picaud, Sylvain; Mousis, O.

doi:10.1016/j.chemphys.2015.01.004

Cited by 11 publications

(3 citation statements)

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“…In our simulations, at 150 K, both small and large cages exhibit similar occupancy in the case of CO. For N 2 , the behavior is slightly different, and a preferential trapping in the large cages is even visible. Moreover, the above-mentioned features also agree with the behavior of calculated values of the Langmuir constants for small and large cages in structures I and II . The calculated values at 50 K for small cages are higher than those for large cages which indicates that trapping in small cages would be preferred to any other configuration.…”

Section: Resultssupporting

confidence: 80%

“…Moreover, the above-mentioned features also agree with the behavior of calculated values of the Langmuir constants for small and large cages in structures I and II. 37 The calculated values at 50 K for small cages are higher than those for large cages which indicates that trapping in small cages would be preferred to any other configuration. At 150 K, the values of the Langmuir constants point to a similar trapping efficiency in both cage types for CO and a preferential trapping in the large cages for N 2 .…”

Section: ■ Simulations Detailsmentioning

confidence: 87%

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A Grand Canonical Monte Carlo Study of the N₂, CO, and Mixed N₂–CO Clathrate Hydrates

et al. 2018

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In this paper we report Grand Canonical Monte Carlo simulations to characterize the competitive trapping of CO and N 2 molecules into clathrates, for various gas compositions in the temperature range from 50 to 150 K. The simulations evidence a preferential trapping of CO with respect to N 2 . This leads to the formation of clathrates that are preferentially filled with CO at equilibrium. This is irrespective of the composition of the gas phase, the fugacity and the temperature. Moreover, the results of the simulations show that the small cages of the clathrate structure are always filled in first place, and this is independent of either the guest structure or the temperature. This issue has been associated to the rather significant differences in the calculated heats of encapsulation (∼2-3 kJ/mol) between the small and the larges cages. In addition, calculations with the simplified ideal adsorbed solution theory (IAST) are developed for allowing a comparison with the results arising from the GCMC simulations. Interestingly, this shows that the occupancy isotherms of the mixed N 2 -CO clathrates can be perfectly represented by knowing the occupancy isotherms of the corresponding singleguest clathrates. This suggests that experiments performed with the single guest CO and N 2 clathrates might be sufficient to get information concerning the corresponding mixed clathrates by using the IAST approach.

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Section: Resultssupporting

confidence: 80%

Section: ■ Simulations Detailsmentioning

confidence: 87%

A Grand Canonical Monte Carlo Study of the N₂, CO, and Mixed N₂–CO Clathrate Hydrates

et al. 2018

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“…If the value of ∆H° has a range of −20 to 40 kJ/mol then the adsorption tends to be physical adsorption and in the range of 80 to 400 kJ/mol then the adsorption tends to be chemical adsorption. In this study, the ∆H° value showed a range of 10.851 kJ/mol to 18.963 kJ/mol with a physical adsorption tendency [49,50]. ∆H° is positive, this indicates that MB adsorption is endothermic and positive for S° with a value of 0.064 J/mol.K to 0.037 J/mol.K because the randomness during the adsorption process increases due to the solid-liquid interaction that occurs in the adsorption [51].…”

Section: Methodssupporting

confidence: 49%

Size Selectivity of Anionic and Cationic Dyes Using LDH Modified Adsorbent with Low-Cost Rambutan Peel to Hydrochar

Normah

Juleanti

Siregar

et al. 2021

Bull. Chem. React. Eng. Catal.

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Modification of the layered double hydroxide of CuAl-LDHs by composite with hydrochar (HC) to form CuAl-HC LDH. Material characterization by XRD, FT-IR and SEM analysis was used to prove the success of the modification. The characterization of XRD and FT-IR spectra showed similarities to pure LDH and HC. Selectivity experiments were carried out by mixing malachite green, methylene blue, rhodamine-B, methyl orange, and methyl red to produce the most suitable methyl blue dye for CuAl-LDH, HC and CuAl-HC adsorbents. The effectiveness of CuAl-HC LDH as adsorbent on methylene blue adsorption was tested through several influences such as adsorption isotherm, thermodynamics, and adsorbent regeneration. CuAl-HC LDH adsorption isotherm data shows that the adsorption process tends to follow the Langmuir isotherm model with a maximum adsorption capacity of 175.439 mg/g with a threefold increase compared to pure LDH. The effectiveness of the adsorbent for repeated use reaches five cycles as evidenced by the maximum capacity regeneration data reaching 82.2%, 79.3%, 77.9%, 76.1%, and 75.8%. Copyright © 2021 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

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Nanometer‐Scale Defect Detection Using Polarized Light

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A simple van’t Hoff law for calculating Langmuir constants in clathrate hydrates

Cited by 11 publications

References 31 publications

A Grand Canonical Monte Carlo Study of the N₂, CO, and Mixed N₂–CO Clathrate Hydrates

A Grand Canonical Monte Carlo Study of the N₂, CO, and Mixed N₂–CO Clathrate Hydrates

Size Selectivity of Anionic and Cationic Dyes Using LDH Modified Adsorbent with Low-Cost Rambutan Peel to Hydrochar

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A simple van’t Hoff law for calculating Langmuir constants in clathrate hydrates

Cited by 11 publications

References 31 publications

A Grand Canonical Monte Carlo Study of the N2, CO, and Mixed N2–CO Clathrate Hydrates

A Grand Canonical Monte Carlo Study of the N2, CO, and Mixed N2–CO Clathrate Hydrates

Size Selectivity of Anionic and Cationic Dyes Using LDH Modified Adsorbent with Low-Cost Rambutan Peel to Hydrochar

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Product

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A Grand Canonical Monte Carlo Study of the N₂, CO, and Mixed N₂–CO Clathrate Hydrates

A Grand Canonical Monte Carlo Study of the N₂, CO, and Mixed N₂–CO Clathrate Hydrates