Quenched solid density functional theory and pore size analysis of micro-mesoporous carbons

Neimark, Alexander V.; Lin, Yi-Guang; Ravikovitch, Peter I.; Thommes, Matthias

doi:10.1016/j.carbon.2009.01.050

Cited by 729 publications

(532 citation statements)

References 37 publications

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“…The specific surface area was calculated from the N 2 adsorption isotherms in the relative pressure (P/P 0 ) range of 0.02-0.30 according to the BET model (Fitzer and Müller 1975;Sing, 1985). The total pore volume and the average pore size were calculated from adsorption isotherms based on the Quenched Solid Density Functional Theory (QSDFT) model (Neimark et al 2009). …”

Section: Methodsmentioning

confidence: 99%

Preparation of electric double layer capacitors (EDLCs) from two types of electrospun lignin fibers

et al. 2015

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Electrodes has been prepared for application in an electric double layer capacitor (EDLC) based on polyethylene glycol lignin (PEGL) and soda lignin (SL) derived from cedar wood. Fibers with a diameter of 23 μm were prepared by direct melt electrospinning of PEGL. Much finer fibers of 3.6 μm diameter were obtained by dry electrospinning of 70% PEGL in a dimethyl formamide (DMF) solution at 145°C. The dry electrospinning of SL alone in an alkaline aqueous solution was not achievable, but this was possible of a mixture of SL and polyethylene glycol (M w = 500 000) at a ratio of 99/1, which resulted in thin SL fibers with a diameter of 0.85 μm. These fibers were converted into activated carbon fibers (ACFs) by thermostabilization, carbonization, and steam activation. The specific Brunauer, Emmett and Teller (BET) surface areas of the resulting PEGL-ACFs and SL-ACFs were 1880 m 2 g -1 and 1411 m 2 g -1 , respectively. PEGL-ACFs electrodes with an organic electrolyte exhibited an impedance of 1.6 Ω and a specific capacitance of 92.6 F g -1 at a scan rate of 1 A g -1 , and the SL-ACFs electrodes had an impedance and specific capacitance of 4.5 Ω and 55.6 F g -1 , respectively.

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Section: Methodsmentioning

confidence: 99%

Preparation of electric double layer capacitors (EDLCs) from two types of electrospun lignin fibers

et al. 2015

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“…The micropore fraction was expressed as the ratio of the micropore volume to the total pore volume. Pore size distributions were calculated from the isotherm data by applying the quenched-solid density functional theory method (QSDFT) (Neimark et al 2009). …”

Section: Characterization Of Acsmentioning

confidence: 99%

Adsorption of atrazine on hemp stem-based activated carbons with different surface chemistry

et al. 2015

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Surface-modified hemp stem-based activated carbons (HACs) were prepared and used for the adsorption of atrazine from aqueous solution, and their adsorption performance was examined. A series of HACs were prepared by potassium hydroxide activation of hemp stems, followed by subsequent modification by thermal annealing, oxidation with nitric acid and amination. The resultant HACs differed in surface chemistry, while possessing similar porous structure. The surface group characteristics were examined by X-ray photoelectron spectroscopy and measurement of the point of zero charge (pH PZC ). The adsorption of atrazine from aqueous solution was performed in static conditions. The Langmuir-Freundlich and Langmuir models gave a better fit for equilibrium isotherms compared with the Freundlich model. The atrazine adsorption process was controlled by an intraparticle diffusion mechanism with a significant contribution from film diffusion. The presence of oxygen and nitrogen functionalities on the carbon surface was found to be undesirable for atrazine adsorption. The superior adsorbent was obtained by heat treatment of HAC in an inert atmosphere at 700°C, resulting in a very high adsorption capacity due to its enhanced hydrophobicity. The adsorption of atrazine on the studied HACs mainly involves p-p dispersive interactions between the atrazine ring and the graphene layers of carbon.

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“…However, over time with enhanced accuracy of the adsorption measurements the visible artifacts in the PSD calculation results have been reported and discussed [12,13]. It is now well understood that the flat and energetically uniform surface of simple slit pores is a source of the problem due to the fact that the adsorption process in such pores exhibit the so called layering transitions which do not occur on real heterogeneous surfaces.…”

Section: Introductionmentioning

confidence: 99%

Effects of CO2 activation of carbon aerogels leading to ultrahigh micro-meso porosity

Rasines¹,

Macías²,

Haro

et al. 2015

Microporous and Mesoporous Materials

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We have analyzed the effects of CO 2 activation on the porosity of ultrahigh pore volume carbon aerogels. Data obtained from the new 2D-NLDFT-HS model for carbons has been compared to the results of conventional methods (BJH, t-plot, DR); all the models were applied to the desorption branch of the isotherms. Physical activation of the carbon aerogel at different burn-off degrees resulted in materials showing increasing volume of micropores and alteration of mesopore structure. The later effect manifested itself by a characteristic inflection in the desorption branch of the nitrogen isotherm at high relative pressures. Such curvatures are attributed to a non uniform activation of the carbon matrix with CO 2 that in some parts carves the surface of the precursor deeper than in others, creating bimodal/multimodal pore size distributions. The different methods applied for the assessment of the textural properties of the aerogels with ultrahigh micro-/mesoporosity showed excellent agreement in terms of pore volumes, surface areas and average pore size.

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Quenched solid density functional theory and pore size analysis of micro-mesoporous carbons

Cited by 729 publications

References 37 publications

Preparation of electric double layer capacitors (EDLCs) from two types of electrospun lignin fibers

Preparation of electric double layer capacitors (EDLCs) from two types of electrospun lignin fibers

Adsorption of atrazine on hemp stem-based activated carbons with different surface chemistry

Effects of CO2 activation of carbon aerogels leading to ultrahigh micro-meso porosity

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