New method for calculating the adsorption of noble gases on amorphous surfaces

Gvozdev, V. V.; Tovbin, Yu. K.

doi:10.1007/bf02496199

Cited by 2 publications

(3 citation statements)

References 10 publications

(6 reference statements)

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“…The mean deviation between calculated and experimental values is ±3%. The differences observed at low coverages are due to the differences between the distribution functions f ( Q ) obtained from experimental data and calculated with atom−atomic potentials . These deviations between experiment and calculations are caused by atom−atomic potentials not reflecting a part of the distribution function with large energies.…”

Section: New Approach To Calculating Spherically Symmetric Molecules ...mentioning

confidence: 90%

“…In this paper we have considered the second part of the problem. The first part has been discussed in ref , and here we brief present main results of the work (subsection 3.2). New method has been applied on such a constructed amorphous surface.…”

Section: New Approach To Calculating Spherically Symmetric Molecules ...mentioning

confidence: 99%

“…Procedure for Formatting of the Amorphous Adsorbent Structure . The amorphous structure of an adsorbent is assumed to be rigid and unchanged at all degrees of surface coverage. Simulation of an amorphous structure was carried out taking into account the conventional geometric concept of an amorphous three-dimensional structure as a completely random arrangement of atoms in a solid.…”

Section: New Approach To Calculating Spherically Symmetric Molecules ...mentioning

confidence: 99%

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Two Improvements in Adsorption Theory: Adsorption on an Amorphous Surface and a New Estimation of Micropore Volumes

Tovbin

1999

Langmuir

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Two improvements of the adsorption theory are offered. The first improvement expands the area of applicability of a lattice−gas model for description of adsorption of symmetric particles on amorphous surfaces. The second improvement raises the accuracy of determination of a microporous system volume. A new approach to calculating the equilibrium characteristics of the adsorption of spherically symmetric molecules on heterogeneous surfaces of adsorbents was developed. The new method was applied to adsorption of Ar atoms on an amorphous TiO2 (rutile) surface. On amorphous surfaces, adsorption centers are located chaotically and the distances between neighboring local minima of potential energy vary over a wide range. At adsorption of inert gases on amorphous surfaces, situations are possible where there is blocking by adspecies of several nearest adsorption centers. Therefore in general, the problem of the calculation of adspecies adsorption on amorphous surfaces represents a problem of adsorption of multisite particles on heterogeneous surfaces. Intermolecular adsorbate−adsorbate interactions are taken into account for nearest atoms in a quasichemical approximation. The energies of the lattice parameters of the all interactions of model are defined from the Lennard-Jones potential (12-6). The offered method gives a satisfactory quantitative description of the isosteric heat of adsorption and isotherm of adsorption in the submonolayer region. It is shown that the standard procedure of an estimation of micropore volume with help from the Dubinin−Radushkevich equation results in overestimated sizes. It follows that the filling of micropore volume occurs at pressures considerably smaller than vapor saturated pressure. The last fact is caused by joint influence of potentials of the adsorbate−wall and adsorbate−adsorbate. A more exact finding of mircopore volume with estimation of the pressure of filling of the micropore volume is suggested.

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Section: New Approach To Calculating Spherically Symmetric Molecules ...mentioning

confidence: 90%

Section: New Approach To Calculating Spherically Symmetric Molecules ...mentioning

confidence: 99%

Section: New Approach To Calculating Spherically Symmetric Molecules ...mentioning

confidence: 99%

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Two Improvements in Adsorption Theory: Adsorption on an Amorphous Surface and a New Estimation of Micropore Volumes

Tovbin

1999

Langmuir

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Theoretical studies of argon adsorption in MCM-41 mesoporous systems

Tovbin

Petukhov

2007

Applied Surface Science

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New method for calculating the adsorption of noble gases on amorphous surfaces

Cited by 2 publications

References 10 publications

Two Improvements in Adsorption Theory: Adsorption on an Amorphous Surface and a New Estimation of Micropore Volumes

Two Improvements in Adsorption Theory: Adsorption on an Amorphous Surface and a New Estimation of Micropore Volumes

Theoretical studies of argon adsorption in MCM-41 mesoporous systems

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