Calculation of the energy of adsorption of n-paraffins in nanoporous crystalline and ordered acid catalysts, and its relationship with the activation energy of the monomolecular catalytic cracking reaction

Roque-Malherbe, Rolando; Diaz-Castro, F.

doi:10.1016/j.molcata.2007.11.011

Calculation of the energy of adsorption of n-paraffins in nanoporous crystalline and ordered acid catalysts, and its relationship with the activation energy of the monomolecular catalytic cracking reaction

Journal Article · Fri Feb 01 04:00:00 EST 2008 · Journal of Molecular Catalysis A: Chemical

DOI:https://doi.org/10.1016/j.molcata.2007.11.011· OSTI ID:1079686

Roque-Malherbe, Rolando ^[1]; Diaz-Castro, F.

Universidad del Turabo

Applying the Horvath Kawazoe approach for: the slit, cylindrical and spherical pore models for the description of the geometry of the channels and cavities of nanoporous materials, and the united-atom model to describe n-alkanes of, m, carbons; were calculated mathematical expressions to describe the enthalpy of adsorption of these alkanes in acid nanoporous materials, such as zeolites and mesoporous molecular sieves. After that, applying ideas developed by Haag, Gorte and others, and the transition state theory, the expressions for the enthalpy of adsorption were linked with the observed and intrinsic activation energies for the unimolecular catalytic cracking reaction. To evaluate the implicit mathematical expressions for the enthalpy of adsorption were used parameters which characterize methane and the adsorbent surface, and was carried out a detailed experimental analysis of the pore diameters of the tested materials. The obtained numerical equations were plotted and tested with reliable literature data, obtaining results which fairly well coincide with the reported experimental values.

Research Organization:: Univ. of Turabo, Gurabo, PR (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

DOE Contract Number:: FG02-95EW12610

OSTI ID:: 1079686

Report Number(s):: DOE-EW12610-12

Journal Information:: Journal of Molecular Catalysis A: Chemical, Journal Name: Journal of Molecular Catalysis A: Chemical Journal Issue: 1-2 Vol. 280; ISSN 1381-1169

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

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Calculation of the energy of adsorption of n-paraffins in nanoporous crystalline and ordered acid catalysts, and its relationship with the activation energy of the monomolecular catalytic cracking reaction

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