Thermodynamic characteristics of the adsorption of organic molecules on modified МCM-41 adsorbents

Gus’kov, V. Yu.; Sukhareva, D. A.; Salikhova, G. R.; Карпов, С. И.; Kudasheva, F. Kh.; Roessner, F.; Borodina, Elena

doi:10.1134/s0036024417070135

Cited by 5 publications

(1 citation statement)

References 16 publications

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“…The catalyst activity is greatly influenced by the support; therefore, mesoporous silica gels with a high surface area, large pore volume, and the possibility of modification are of great interest to researchers in recent decades. [1][2][3][4][5][6][7][8][9][10] The formation of metal nanoparticles directly in the pores of the polymer makes it possible to obtain hybrid polymer-inorganic materials characterized by a regular distribution of nanoparticles in the bulk.…”

Section: Introductionmentioning

confidence: 99%

Mesoporous silica gel doped with dysprosium and modified with copper: A selective catalyst for the hydrogenation of 1‐hexyne/1‐hexene mixture

Tokranova

Tokranov

Vinogradov

et al. 2022

Int J of Chemical Kinetics

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The selective hydrogenation of 1-hexyne/1-hexene mixture in the temperature range 100-140 • C and a hydrogen pressure of 3 atm was studied on catalysts based on mesoporous silica gel modified with copper and mesoporous silica gel doped with dysprosium and modified with copper. The physicochemical characteristics of the samples were studied by low temperature nitrogen adsorption-desorption method, scanning electron microscopy (SEM), X-ray fluorescence (XRF), and inductively coupled plasma mass spectrometry (ICP-MS). In addition, theoretical calculations of the entropies and energies of formation of activated complexes of the hydrogenation reactions of 1-hexyne and 1-hexene in the gas phase have been calculated with Gaussian 09 software using the density functional theory (DFT) B3LYP/cc-pVQZ method. It was found that the presence of dysprosium in the structure of mesoporous silica gel leads to an increase in catalytic activity in the hydrogenation of 1-hexyne. Moreover, it was shown that mesoporous silica gel modified with copper has the highest selectivity for hexene-1 in the hydrogenation reaction of 1-hexyne/1-hexene mixture at 130 • C.

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