Description of benzene adsorption in slit-like pores. Theoretical foundations of the improved Horvath–Kawazoe method

Kowalczyk, Piotr; Ustinov, E. A.; Terzyk, Artur P.; Gauden, Piotr A.; Kaneko, Katsumi; Rychlicki, Gerhard

doi:10.1016/j.carbon.2004.01.058

Cited by 14 publications

(11 citation statements)

References 42 publications

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“…This is probably caused by the quasi-Gaussian PSDs of micropores in the studied systems, since the HK method usually leads to a single peak in the PSD covering the whole range of micropore diameters. The problem of the correctness of the HK method was studied recently for ideal carbon slits 45,60,[65][66][67][68][69] and needs further studies for disordered structures (which do not have quasi-Gaussian microporosity) as reported in this paper.…”

Section: Psds For Simulated Adsorption Isotherms and Comparison With ...mentioning

confidence: 98%

How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments?

Terzyk¹,

Furmaniak²,

Harris

et al. 2007

Phys. Chem. Chem. Phys.

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A plausible model for the structure of non-graphitizing carbon is one which consists of curved, fullerene-like fragments grouped together in a random arrangement. Although this model was proposed several years ago, there have been no attempts to calculate the properties of such a structure. Here, we determine the density, pore size distribution and adsorption properties of a model porous carbon constructed from fullerene-like elements. Using the method proposed recently by Bhattacharya and Gubbins (BG), which was tested in this study for ideal and defective carbon slits, the pore size distributions (PSDs) of the initial model and two related carbon models are calculated. The obtained PSD curves show that two structures are micro-mesoporous (with different ratio of micro/mesopores) and the third is strictly microporous. Using the grand canonical Monte Carlo (GCMC) method, adsorption isotherms of Ar (87 K) are simulated for all the structures. Finally PSD curves are calculated using the Horvath-Kawazoe, non-local density functional theory (NLDFT), Nguyen and Do, and Barrett-Joyner-Halenda (BJH) approaches, and compared with those predicted by the BG method. This is the first study in which different methods of calculation of PSDs for carbons from adsorption data can be really verified, since absolute (i.e. true) PSDs are obtained using the BG method. This is also the first study reporting the results of computer simulations of adsorption on fullerene-like carbon models.

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Section: Psds For Simulated Adsorption Isotherms and Comparison With ...mentioning

confidence: 98%

How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments?

Terzyk¹,

Furmaniak²,

Harris

et al. 2007

Phys. Chem. Chem. Phys.

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“…On the other hand, the PSDs with the gap around ca. 1 nm are also detected for Elftex 120 and SAO carbon blacks [27]. The current work shows that the bimodality of the pore size distribution is a characteristic feature of the majority adsorbents possessing micropores.…”

Section: Discussionmentioning

confidence: 82%

Bimodal pore size distributions for carbons: Experimental results and computational studies

Gauden¹,

Terzyk²,

Jaroniec

et al. 2007

Journal of Colloid and Interface Science

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“…This can sometimes lead to difficulties during the characterisation of the materials using N 2 at 77 K due to the slow rate of diffusion at such a low temperature. For this reason (amongst others) many authors have used adsorption at higher temperatures of CO 2 [1][2][3][4] or different organic vapours, particularly benzene [3][4][5][6][7], in order to obtain a more complete characterisation of the narrow microporosity. In the work which is reported here, the main aim was to assess the use of ethanol as a convenient non-toxic alternative to the other common probe molecules, in particular for evaluating the microporosity of carbon materials containing very narrow micropores [8][9][10][11].…”

Section: Introductionmentioning

confidence: 99%

On the use of ethanol for evaluating microporosity of activated carbons prepared from Polish lignite

Carrott

Cansado

Mourão

et al. 2012

Fuel Processing Technology

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ResumoOn the use of ethanol for evaluating microporosity of activated carbons prepared from Polish lignite Microporous activated carbons prepared by KOH chemical activation or steam activation from lignite were characterised by adsorption of N2 at 77 K and CO2 at 298K. Subsequently, the adsorption of ethanol was carried out and complemented by adsorption of benzene and cyclohexane. The isotherm analysis included application of the αs method using ethanol reference data obtained here by also studying non-porous carbon blacks. The work confirmed that ethanol is an experimentally convenient adsorptive to use and leads to results in overall agreement with those obtained using other probe molecules. Of particular interest was the observation that ethanol can gain access to the whole microporosity even in the case of samples containing constricted micropore entrances. It was also possible to show that certain furnace carbon blacks contain intrinsic microporosity which is more difficult to unambiguously detect by adsorption of N2 at 77 K. On the other hand, the results also suggested that the exact shape of the ethanol adsorption isotherm on a nonporous surface is more sensitive to the nature of the surface than has previously been found with other adsorptives.

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Description of benzene adsorption in slit-like pores. Theoretical foundations of the improved Horvath–Kawazoe method

Cited by 14 publications

References 42 publications

How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments?

How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments?

Bimodal pore size distributions for carbons: Experimental results and computational studies

On the use of ethanol for evaluating microporosity of activated carbons prepared from Polish lignite

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