Experimental and computational studies on the adsorption of CO2 and N2 on pure silica zeolites

Pham, Trong D.; Xiong, Ruichang; Sandler, Stanley I.; Lobo, Raúl F.

doi:10.1016/j.micromeso.2013.10.030

Cited by 85 publications

(80 citation statements)

References 56 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The polarity and the presence of pores make the zeolite an efficient shape-selective sorbent for a broad range of separation applications. Relatively large energetic dipole and quadrupole moment in the molecules is also one appealing factor for selective adsorption of gases in zeolites (Pham et al 2014). Gases having large quadrupole moment and polarizability interact more easily with the electric field created by the structural cations of zeolites (Na ?…”

Section: Zeolites-based Adsorbentsmentioning

confidence: 99%

Feasibility of CO2 adsorption by solid adsorbents: a review on low-temperature systems

Younas

Sohail

Leong

et al. 2016

Int. J. Environ. Sci. Technol.

201

View full text Add to dashboard Cite

In the last few decades of industrialization, the concentration of CO 2 in the atmosphere had increased rapidly. Different organizations have invested considerable funds in research activities worldwide for CO 2 capture and storage. To date, significant work has been done and various technologies have been proposed for CO 2 capture and storage. Both adsorption and absorption are promising techniques for CO 2 capture, but low-temperature adsorption processes using solid adsorbents are the prevailing technique nowadays. In this review paper, a variety of adsorbents such as carbonaceous materials, dry alkali metal-based sorbents, zeolites, metal-organic frameworks (MOFs) and microporous organic polymers (MOPs) have been studied. Various methods of chemical or physical modification and the effects of supporting materials have been discussed to enhance CO 2 capture capacity of these adsorbents. Low-temperature (\100°C) adsorption processes for CO 2 capture are critically analyzed and concluded on the basis of information available so far in the literature. All the information in CO 2 adsorption using different routes has been discussed, summarized and thoroughly presented in this review article. The most important comparative study of relatively new material MOFs and MOPs is carried out between the groups and with other sorbent as well.

show abstract

Section: Zeolites-based Adsorbentsmentioning

confidence: 99%

Feasibility of CO2 adsorption by solid adsorbents: a review on low-temperature systems

Younas

Sohail

Leong

et al. 2016

Int. J. Environ. Sci. Technol.

201

View full text Add to dashboard Cite

show abstract

“…The adsorption isotherms are in this case measured in a wider range of temperatures from 273 up to a 343 K. In this example our force field tends to underestimate adsorption loading at higher temperatures. Note however some differences between experimental data of works [61] and [41] for the same CHA structure at 301 and 303K.…”

Section: Co 2 Adsorption In All-silica Zeolitesmentioning

confidence: 85%

“…We compare also our simulated data with the experimental data from work [41] for all silica FER zeolite, see figure 3(b). Adsorption isotherms are measured and computed at 273, 303 and 343 K. As in the previous case, in this example simulated data are somewhat underestimate the experimental adsorption loadings.…”

Section: Co 2 Adsorption In All-silica Zeolitesmentioning

confidence: 96%

“…Representing N 2 as a two site model with zero partial charges leads to strong underestimation of N 2 adsorption in comparison with experimental data even if liquid-vapour coexistence curve is reproduced well (figures S2, S6, S7). The Lennard-Jones parameters of N 2 model were tuned to reproduce liquid N 2 properties by Murthy et al [37], and the model have been used in a number of adsorption studies [40,41]. N 2 molecules were considered to be rigid in our simulations.…”

Section: Models For Guest Moleculesmentioning

confidence: 99%

See 1 more Smart Citation

Transferable force-field for modelling of CO₂, N₂, O₂and Ar in all silica and Na⁺exchanged zeolites

Vujić

Lyubartsev

2016

Modelling Simul. Mater. Sci. Eng.

View full text Add to dashboard Cite

In this work we propose a new force field for modelling of adsorption of CO2, N2, O2 and Ar in all silica and Na+ exchanged Si–Al zeolites. The force field has a standard molecular-mechanical functional form with electrostatic and Lennard-Jones interactions satisfying Lorentz–Berthelot mixing rules and thus has a potential for further extension in terms of new molecular types. The parameters for the zeolite framework atom types are optimized by an iterative procedure minimizing the difference with experimental adsorption data for a number of different zeolite structures and Si:Al ratios. The new force field shows a good agreement with available experimental data including those not used in the optimization procedure, and which also shows a reasonable transferability within different zeolite topologies. We suggest a potential usage in screening of different zeolite structures for carbon capture and storage process, and more generally, for separation of other gases.

show abstract

“…They were studied for CO 2 adsorption in [39]. CO 2 molecules strongly interact with the electric field of the zeolite framework, allowing selective separation and adsorption [40]. Concerning regeneration, degassing in vacuum is the most common technique, but thermal treatments are also available [20,41].…”

Section: Innovative Nanostructures Based On Solid Sorbents For Comentioning

confidence: 99%

The Virtuous CO₂ Circle or the Three Cs: Capture, Cache, and Convert

Bocchini

Castro²,

Cocuzza

et al. 2017

Journal of Nanomaterials

View full text Add to dashboard Cite

It is not the first time in human history, nor will it be the last for that matter, that a collective problem calls for a collective response. Climate change fueled by greenhouse emissions affects humankind alike. Despite the disagreement among policymakers and scientists on the severity of the issue, the truth is that the problem remains. A broad look at different technologies being used today in different fields has led to the idea of bringing them together in an attempt to offer a viable solution to reducing anthropogenic CO 2 . The following paper describes how the nanotechnologies, available or soon to be available, would make CO 2 capture, cache, and conversion (coined the three Cs) a valid way for achieving a more sustainable energy society. Authors also set out to highlight with this work how knowledge transfer is instrumental in the development of technology and how methodical assessment of crossovers can expedite research when time plays against us.

show abstract

Experimental and computational studies on the adsorption of CO2 and N2 on pure silica zeolites

Cited by 85 publications

References 56 publications

Feasibility of CO2 adsorption by solid adsorbents: a review on low-temperature systems

Feasibility of CO2 adsorption by solid adsorbents: a review on low-temperature systems

Transferable force-field for modelling of CO₂, N₂, O₂and Ar in all silica and Na⁺exchanged zeolites

The Virtuous CO₂ Circle or the Three Cs: Capture, Cache, and Convert

Contact Info

Product

Resources

About

Experimental and computational studies on the adsorption of CO2 and N2 on pure silica zeolites

Cited by 85 publications

References 56 publications

Feasibility of CO2 adsorption by solid adsorbents: a review on low-temperature systems

Feasibility of CO2 adsorption by solid adsorbents: a review on low-temperature systems

Transferable force-field for modelling of CO2, N2, O2and Ar in all silica and Na+exchanged zeolites

The Virtuous CO2 Circle or the Three Cs: Capture, Cache, and Convert

Contact Info

Product

Resources

About

Transferable force-field for modelling of CO₂, N₂, O₂and Ar in all silica and Na⁺exchanged zeolites

The Virtuous CO₂ Circle or the Three Cs: Capture, Cache, and Convert