Characterization of Cabot non-graphitized carbon blacks with a defective surface model: Adsorption of argon and nitrogen

Wongkoblap, Atichat; Do, D.D.

doi:10.1016/j.carbon.2007.03.021

Cited by 29 publications

(18 citation statements)

References 29 publications

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“…These aspects are related to the uncertainty of the PSD according to the method used and knowing if there are differences between these methods [ 22 ]. Various studies with activated carbons and different gases have been carried out to analyze these effects in detail [ 22 , 23 , 24 , 25 , 26 , 27 ] to establish those of the main sources of uncertainty in the calculations of the PSD evaluated using the integral approach of adsorption [ 22 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 ]. Several authors carry out an analysis of these aspects, making interesting contributions to the calculation of the PSD from the results of gas isotherms on porous solids [ 22 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 ].…”

Section: Introductionmentioning

confidence: 99%

Graphene Oxide: Study of Pore Size Distribution and Surface Chemistry Using Immersion Calorimetry

2020

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In this work, the textural parameters of graphene oxide (GO) and graphite (Gr) samples were determined. The non-local density functional theory (NLDFT) and quenched solid density functional theory (QSDFT) kernels were used to evaluate the pore size distribution (PSD) by modeling the pores as slit, cylinder and slit-cylinder. The PSD results were compared with the immersion enthalpies obtained using molecules with different kinetic diameter (between 0.272 nm and 1.50 nm). Determination of immersion enthalpy showed to track PSD for GO and graphite (Gr), which was used as a comparison solid. Additionally, the functional groups of Gr and GO were determined by the Boehm method. Donor number (DN) Gutmann was used as criteria to establish the relationship between the immersion enthalpy and the parameter of the probe molecules. It was found that according to the Gutmann DN the immersion enthalpy presented different values that were a function of the chemical groups of the materials. Finally, the experimental and modeling results were critically discussed.

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Section: Introductionmentioning

confidence: 99%

Graphene Oxide: Study of Pore Size Distribution and Surface Chemistry Using Immersion Calorimetry

2020

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“…For the former, the collision diameter (σ ff ) and well depth (ε ff ) parameters are 0.3615 nm and 101.5 K, respectively [27]. For the latter, the two centres are each nitrogen atom 0.11 nm apart, with σ ff = 0.331 nm and ε ff = 36 K. This model also accounts for charge distribution as + 0.963e at the centre and -0.482e at each edge along the N≡N axis (as the L-J sites) [28].…”

Section: Simulation Methodsmentioning

confidence: 99%

Uncertainty in pore size distribution derived from adsorption isotherms: II. Adsorption integral approach

Madani

Herrera

Biggs

et al. 2015

Microporous and Mesoporous Materials

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Uncertainty in the amount adsorbed in manometric adsorption isotherm measurements is well established. Here, we extend uncertainty methodologies from adsorption isotherm data uncertainty and apply them to calculate pore size distributions based on adsorption integral methods. The analyses consider as variables: uncertainty in adsorption isotherm data, regularization parameter, molecular potential model, and the number of single pore isotherms calculated with an associated quadrature interval. We demonstrate how the calculated pore size distribution is quite insensitive to the uncertainty in experimental data, but in contrast, the uncertainty in the experimental data affects the calculated value of the optimized regularization parameter which, in turn, leads to considerable variation in the calculated pore size distribution. The calculated pore size distribution is also shown to be highly dependent on the potential model selected and on the number of single pore isotherms applied to the inversion process. We conclude and suggest a quantitative comparison between calculated pore size distributions should be discouraged unless the uncertainty in the experimental data is relatively small and, default values for regularization parameters, potential models, the number of single pore isotherms and their distribution are exactly the same for each pore size distribution evaluation.

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“…They have a wide range of structures from nanotubes, with well-defined properties to activated carbons with complex, functional groups and impurities that make their study more difficult [4]. MC simulations have proven to be a useful tool to study the effect of adsorbent characteristics such as pore sizes, functional groups, and surface defects on the adsorption equilibria [4][5][6]. This paper will compare the adsorption of nitrogen and ammonia as weakly (or often assumed non) polar and polar molecules on nongraphitized carbon blacks using GCMC simulation.…”

Section: Introductionmentioning

confidence: 99%

Comparative simulation study of nitrogen and ammonia adsorption on graphitized and nongraphitized carbon blacks

Herrera

Birkett

2008

Journal of Colloid and Interface Science

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Characterization of Cabot non-graphitized carbon blacks with a defective surface model: Adsorption of argon and nitrogen

Cited by 29 publications

References 29 publications

Graphene Oxide: Study of Pore Size Distribution and Surface Chemistry Using Immersion Calorimetry

Graphene Oxide: Study of Pore Size Distribution and Surface Chemistry Using Immersion Calorimetry

Uncertainty in pore size distribution derived from adsorption isotherms: II. Adsorption integral approach

Comparative simulation study of nitrogen and ammonia adsorption on graphitized and nongraphitized carbon blacks

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