Understanding adsorption of CO2, N2, CH4 and their mixtures in functionalized carbon nanopipe arrays

Halder, Prosun; Maurya, Manish; Jain, S. K.; Singh, Jayant K.

doi:10.1039/c5cp07422c

Cited by 23 publications

(16 citation statements)

References 63 publications

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“…For example, Bhatia et al , have modeled silicon-carbide derived nanoporous carbon and studied its significance in gas transport for CO 2 and CH 4 . In another study, Halder et al have modeled an experimentally observed porous structure of CMK-5 and studied its applicability in gas separation. They have reported that functionalized CMK-5 models show better gas separation ability compared to various activated carbons.…”

Section: Introductionmentioning

confidence: 99%

“…The code has been used in earlier works to study the adsorption phenomenon in porous materials. 20,28 Theory of Adsorption. In GCMC simulations, we get the absolute number of adsorbed particles (N ad ) in the simulation box.…”

Section: ■ Introductionmentioning

confidence: 99%

“…During recent times, many porous materials have been synthesized and modeled to study their capability to capture SO 2 and CO 2 from the flue gas. − Among these materials, carbon-based adsorbents such as activated carbon, graphene, carbon nanotube, graphite are extensively used and found to be most prominent in gas separation at postcombustion conditions. Apart from carbon materials having well-defined pore size and structures such as activated carbons, covalent organic frameworks, graphene, and carbon nanotubes, ,, a plethora of amorphous carbon exists in a wide range of density which is equally important for gas separation.…”

Section: Introductionmentioning

confidence: 99%

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Treatment of Flue Gas using Graphene Sponge: A Simulation Study

Maurya

Singh

2018

J. Phys. Chem. C

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Grand canonical Monte Carlo simulations are conducted to investigate the adsorption ability of a 3-D graphene sponge (GS) to separate acidic gases from flue gas stream. To assess the adsorption capacity of GS, first, adsorption of pure component flue gas is studied at a temperature of 303 K and varying pressure up to 2.5 bar. Subsequently, the adsorption capacity and selectivity of GS are investigated for a ternary mixture (CO 2 /SO 2 /N 2 ) of flue gas under the same conditions. This study shows that the maximum adsorption capacity of GS for pure component flue gas is observed for SO 2 followed by CO 2 and N 2 . The adsorption uptake decreases with an increase in pore size of GS. At 1 bar, the amount of adsorption of SO 2 and CO 2 are ∼13 mmol/g and ∼2.6 mmol/g, respectively. Upon increasing the average pore size to 20 Å, the excess amount decreases by 56% and 58% for SO 2 and CO 2 , respectively. The adsorption capacities of GS for CO 2 and SO 2 are better than other carbonbased adsorbents except for CNT bundles. In the case of a ternary mixture of N 2 , CO 2 , and SO 2 in the mole ratios of 0.8, 0.15, and 0.05, we found that the adsorption behavior follows the same order as in the pure component flue gas adsorption. However, the adsorption amount decreases significantly from that of pure component adsorption amount in GS. The adsorption amount of SO 2 and CO 2 at postcombustion conditions decreases to 1.3 mmol/g and 0.5 mmol/g, respectively, which further decreases upon increasing the average pore size. Selectivity analysis of adsorption shows that the adsorption selectivity of SO 2 over N 2 is the maximum followed by the selectivity of CO 2 over N 2 and SO 2 over CO 2 . Both selectivity and uptake capacity decreases with increase in average pore size of GS.

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Section: Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Treatment of Flue Gas using Graphene Sponge: A Simulation Study

Maurya

Singh

2018

J. Phys. Chem. C

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“…Furthermore, although CO 2 is a linear molecule without a dipole moment, it has high quadrupolar moment and polarizability values, which means the adsorbent CO 2 interaction can be enhanced by strengthening the surface electric field, for example, oxidation of carbons by concentrated HNO 3 ‐induced oxygen‐bearing surface groups, and this polarized surface showed enhanced CO 2 adsorption . The enhancement of CO 2 adsorption by ‐OH and ‐COOH groups was also proved by grand‐canonical Monte Carlo simulations …”

Section: Carbon‐based Co2 Adsorbentsmentioning

confidence: 80%

“…101,102 The enhancement of CO 2 adsorption by -OH and -COOH groups was also proved by grand-canonical Monte Carlo simulations. 103 The manipulation of surface chemistry has a profound influence on the adsorption strength towards CO 2 , but this does not necessarily result in the increasing of adsorption capacities because the texture properties of porous materials normally decrease with the introduction of external functionalities.…”

Section: Influence Of Surface Chemistry On Co 2 Adsorption For Carbonsmentioning

confidence: 99%

Carbon‐based adsorbents for post‐combustion capture: a review

et al. 2018

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Carbon dioxide capture is regarded as an effective method of greenhouse gas reduction. Post‐combustion capture from power plants will play a key role in CO2 abatement due to their important contribution to total CO2 emissions. Compared with the state‐of‐the‐art amine scrubbing technology, adsorption‐based post‐combustion capture (PCC) possesses excellent potential for lowering energy demand, and thus the total cost. Due to their relatively weak interaction with CO2, carbons showed lower adsorption capacity during PCC as compared with some benchmark materials (e.g. amine‐based adsorbents); however, their high cyclic stability and fast adsorption/desorption kinetics suggest that carbons have the important potential to achieve an optimized or balanced performance, and thus provide a low‐cost PCC process. In this review, we present preparation options and consider the structure‐performance relationship in CO2 capture with carbons, and summarize recent progress on using carbons for CO2 capture with special focus on PCC. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd.

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Dry and Wet CO₂ Capture from Milk‐Derived Microporous Carbons with Tuned Hydrophobicity

Pokrzywinski

Aulakh

Verdegaal

et al. 2020

Advanced Sustainable Systems

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limits. One potentially useful technology for reducing CO 2 is to directly capture it from power plant flue gas, as well as from other stationary emissions sources. Three different technological approaches for capture of CO 2 from stationary sources are currently being investigated; post-combustion, pre-combustion, and oxyfuel combustion capture. [1] For post-combustion capture, CO 2 is removed from the flue gas which is emitted after combustion of the fuel in air. Pre-combustion CO 2 capture can be performed following gasification of the coal, prior to combustion producing a high-pressure flue gas containing H 2 and CO 2. Based on the respective flue gas compositions, it is necessary for a postcombustion CO 2 adsorbent to exhibit a high CO 2 /N 2 /H 2 O selectivity, and for a pre-combustion adsorbent to have a high CO 2 /H 2 /H 2 O selectivity. [2] Numerous solid or liquid-based CO 2 sorbents have been examined, including zeolites, [3] activated carbons, [4] metal-organic frameworks (MOFs), [5] ionic liquids, [6] polymeric membranes, [7] microporous polymers, [8] and mesoporous silica. [9] Amine-tethered adsorbents exhibit particularly useful attributes, such as wide temperature operating windows, as a result of their CO 2sorbent interaction energies that range from 50 to 100 kJ mol −1. However, amines have limits for large-scale field applications due to the associated large energy penalty for sorbent regeneration, and their low thermal stability over time. [10] MOFs based on unsaturated metal sites have exhibited attractive CO 2 uptake capacities, in addition to acting as stable supports for amines. [11] However, to date their scale-up remains limited. Activated carbons are attractive for CO 2 capture due to their low-cost and overall abundance, in particular when derived from biomassbased precursors, or from coal and oil products. Carbons derived from pyrolysis and activation of yeast, [12] fungi, [13] palm shells, [14] coconut shells, [15] pine nut shells, [16] soya bean dregs, [17,18] bamboo, [19] wheat flour, [20] and leaves [21] have been employed for carbon capture. [22] Carbons prepared from such waste precursors stand out as economically promising and sustainable, but generally fall short of meeting the CO 2 capture performance metrics set by the more complex and expensive systems such as MOFs. Hence, the pressing challenge is to create an inexpensive "green" activated carbon, but with stateof-the-art CO 2 capture performance. This is the first report of Pore size distribution and surface chemistry of bio-derived (milk) microporous dominated carbon "MDC" is synergistically tuned, allowing for promising carbon capture in a dry CO 2 atmosphere and in mixed H 2 O-CO 2. The capture capacity is attributed to the synergy of a large total surface area with an ultramicroporous and microporous texture (e.g., S tot 1889 m 2 g −1 , S mic 1755 m 2 g −1 , S ultra 1393 m 2 g −1), and a high content of nitrogen and oxygen heteroatom moieties (e.g., 5 at% N, 10.5 at% O). Tailored two-step low-temperature pyrolysischem...

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Understanding adsorption of CO₂, N₂, CH₄ and their mixtures in functionalized carbon nanopipe arrays

Cited by 23 publications

References 63 publications

Treatment of Flue Gas using Graphene Sponge: A Simulation Study

Treatment of Flue Gas using Graphene Sponge: A Simulation Study

Carbon‐based adsorbents for post‐combustion capture: a review

Dry and Wet CO₂ Capture from Milk‐Derived Microporous Carbons with Tuned Hydrophobicity

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Understanding adsorption of CO2, N2, CH4 and their mixtures in functionalized carbon nanopipe arrays

Cited by 23 publications

References 63 publications

Treatment of Flue Gas using Graphene Sponge: A Simulation Study

Treatment of Flue Gas using Graphene Sponge: A Simulation Study

Carbon‐based adsorbents for post‐combustion capture: a review

Dry and Wet CO2 Capture from Milk‐Derived Microporous Carbons with Tuned Hydrophobicity

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Product

Resources

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Understanding adsorption of CO₂, N₂, CH₄ and their mixtures in functionalized carbon nanopipe arrays

Dry and Wet CO₂ Capture from Milk‐Derived Microporous Carbons with Tuned Hydrophobicity