Effect of CNT over structural properties of SAPO-34 in MTO process: Experimental and molecular simulation studies

Saeedeh Soheili, Ali Nakhaei Pour*, Ali Mohammadi, Dmitry Yu Murzin

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)

Abstract

The hierarchical silicoaluminophosphate (SAPO-34) catalyst was synthesized using the mixtures of diethylamine (D) and butylamine (B) as a structure-directing agent (SDA), and carbon nanotube (CNT) as a secondary template in the hydrothermal method. The catalysts were characterized by Fourier-transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX), N2 physisorption, and temperature-programmed desorption of ammonia (NH3-TPD) techniques and evaluated for the catalytic activity in the Methanol to Olefins (MTO) process. The results showed that the use of CNT as the secondary template improved the hierarchical structure of SAPO-34 due to increasing the external surface area and mesoporosity and decreasing the particle size and as a result, made better the performance of the prepared SAPO-34 zeolite in the MTO process. Among all the prepared samples, the CNT-B-D catalyst synthesized by mixing three templates displayed the highest ethylene and propylene selectivity of 49% and 34%, respectively. Also, using CNT in the synthesis of samples increased the catalytic stability. In addition, pure, binary, and ternary adsorption isotherms and diffusivities of the main products and reactants over the SAPO-34 were investigated by theoretical measurements, because sorption and diffusion affect the catalyst stability and C2–C3 selectivity in the MTO reaction. The higher diffusion rate of ethylene leads to following the aromatic-based cycle in the MTO process.

Original languageEnglish
Article number108555
Number of pages12
JournalJournal of Molecular Graphics and Modelling
Volume124
DOIs
Publication statusPublished - Nov 2023
MoE publication typeA1 Journal article-refereed

Keywords

  • CNT
  • Grand canonical Monte Carlo
  • Molecular dynamic
  • MTO process
  • SAPO-34

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