TY - JOUR

T1 - Kinetic Model of the Temperature-Programmed Desorption of Ammonia to Study the Acidity of Heterogeneous Catalysts

AU - Lysikov, A. I.

AU - Vdovichenko, V. A.

AU - Vorobyeva, E. E.

AU - Shamanaeva, I. A.

AU - Luzina, E. V.

AU - Piryutko, L. V.

AU - Veselovskaya, Zh V.

AU - Parkhomchuk, E. V.

N1 - This study was partially financially supported by the Ministry of Science and Higher Education of the Russian Federation under the government contract at the Institute of Catalysis, Siberian Branch, Russian Academy of Sciences (project FWUR-2024-0036) (synthetic and experimental studies), and also by the government of the Novosibirsk region (grant no. gr-10 of September 18, 2023; measurements by young researchers).

PY - 2025/1/17

Y1 - 2025/1/17

N2 - Abstract: A new method for processing the results of the temperature-programmed desorption (TPD) of ammonia from heterogeneous catalyst surfaces and an approach for automatic deconvolution of TPD kinetic curves were proposed. This method uses the Polanyi–Wigner kinetic model with formal kinetics approaches for simple reactions, which imposes restrictions on the observed first, second, or third orders. The parameters of the TPD curves were selected based on the inverse simulation using the Runge–Kutta method and fitting them to experimental points using dynamic model parameter changes. As an example, several heterogeneous catalysts were presented in this work. TPD-NH3 of titanium silicalite-1 and silicalite-1 was obtained using one third-order desorption kinetic equation. TPD-NH3 of three γ-alumina samples was obtained using two desorption peaks with similar kinetic parameters.

AB - Abstract: A new method for processing the results of the temperature-programmed desorption (TPD) of ammonia from heterogeneous catalyst surfaces and an approach for automatic deconvolution of TPD kinetic curves were proposed. This method uses the Polanyi–Wigner kinetic model with formal kinetics approaches for simple reactions, which imposes restrictions on the observed first, second, or third orders. The parameters of the TPD curves were selected based on the inverse simulation using the Runge–Kutta method and fitting them to experimental points using dynamic model parameter changes. As an example, several heterogeneous catalysts were presented in this work. TPD-NH3 of titanium silicalite-1 and silicalite-1 was obtained using one third-order desorption kinetic equation. TPD-NH3 of three γ-alumina samples was obtained using two desorption peaks with similar kinetic parameters.

KW - acidity

KW - alumina

KW - ammonia

KW - heterogeneous catalysts

KW - kinetics

KW - silicalite-1

KW - temperature-programmed desorption

KW - titanium silicalite-1

UR - https://www.mendeley.com/catalogue/240ab4c0-6a58-3bf6-a925-ba4589bc8dee/

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85218144523&origin=inward&txGid=c76ed33812139c7979c28c037bf5039e

U2 - 10.1134/S0036024424702297

DO - 10.1134/S0036024424702297

M3 - Article

VL - 98

SP - 3032

EP - 3045

JO - Russian Journal of Physical Chemistry A

JF - Russian Journal of Physical Chemistry A

SN - 0036-0244

IS - 13

ER -