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Multiscale modeling as a tool for the prediction of catalytic performances: The case of n-heptane hydroconversion in a large-pore zeolite
Názov Multiscale modeling as a tool for the prediction of catalytic performances: The case of n-heptane hydroconversion in a large-pore zeolite Autor Schweitzer Jean-Marc Spoluautori Rey Jérôme Bignaud Charles Bučko Tomáš 1975 SAVANOCH - Ústav anorganickej chémie SAV Raybaud Pascal Moscovici-Mirande Mailys Portejoie Frederic James Christophe Bouchy Christophe Chizallet Céline Zdroj.dok. ACS Catalysis. Vol. 12, no. 2 (2022), p. 1068-1081 Jazyk dok. eng - angličtina Krajina US - Spojené štáty Druh dok. rozpis článkov z periodík (rbx) Ohlasy SOTELO-BOYáS, R. - SMOLIKOV, M.D. - SHKURENOK, V.A. - LAVRENOV, A.V. - GONZáLEZ-GARAY, A. - ROSAS-TRIGUEROS, J.L. - CáZARES-MARROQUíN, J.F. Prediction of Alkyl Carbenium Ion Concentrations and Octane Number Increase in Heptane Hydroisomerization over a Pt/WOsub3/sub/ZrOsub2/sub Catalyst. In INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. ISSN 0888-5885, DEC 7 2023, vol. 63, no. 4, p. 1784-1801. Dostupné na: https://doi.org/10.1021/acs.iecr.3c02647. FENG, W.W. - QIAN, Y.G. - WANG, T.H. - CUI, Q.Y. - YUE, Y.Y. - YUAN, P. - BAO, X.J. Impacts of support properties on the vacuum residue slurry-phase hydrocracking performance of Mo catalysts. In PETROLEUM SCIENCE. ISSN 1672-5107, AUG 2023, vol. 20, no. 4, p. 2575-2584. Dostupné na: https://doi.org/10.1016/j.petsci.2023.02.029. GUECI, L. - BERTINI, M. - NANIA, C. - FERRANTE, F. - DUCA, D. DFT Study of Pt Particle Growth inside β-Zeolite Cages. In JOURNAL OF PHYSICAL CHEMISTRY C. ISSN 1932-7447, JUL 20 2023, vol. 127, no. 30, p. 14765-14775. Dostupné na: https://doi.org/10.1021/acs.jpcc.3c02957. SHAKOR, Z.M. - AL-SHAFEI, E.N. The mathematical catalyst deactivation models: a mini review. In RSC ADVANCES. JUL 19 2023, vol. 13, no. 32, p. 22579-22592. Dostupné na: https://doi.org/10.1039/d3ra02912c. VAN SPEYBROECK, V. Challenges in modelling dynamic processes in realistic nanostructured materials at operating conditions. In PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. ISSN 1364-503X, JUL 10 2023, vol. 381, no. 2250. Dostupné na: https://doi.org/10.1098/rsta.2022.0239. YASUMURA, S. - SAITA, K. - MIYAKAGE, T. - NAGAI, K. - KON, K. - TOYAO, T. - MAENO, Z. - TAKETSUGU, T. - SHIMIZU, K.I. Designing main-group catalysts for low-temperature methane combustion by ozone. In NATURE COMMUNICATIONS. JUL 3 2023, vol. 14, no. 1. Dostupné na: https://doi.org/10.1038/s41467-023-39541-y. AL-ZAIDI, B.Y. - AL-SHATHR, A. - SHEHAB, A.K. - SHAKOR, Z.M. - MAJDI, H.S. - ABDULRAZAK, A.A. - MCGREGOR, J. Hydroisomerisation and Hydrocracking of in/i-Heptane: Modelling and Optimisation Using a Hybrid Artificial Neural Network-Genetic Algorithm (ANN-GA). In CATALYSTS. JUL 2023, vol. 13, no. 7. Dostupné na: https://doi.org/10.3390/catal13071125. KE, J. - HU, W.D. - DU, Y.J. - WANG, Y.D. - WANG, C.M. - XIE, Z.K. Microkinetic Simulations of Methanol-to-Olefin Conversion in H-SAPO-34: Dynamic Distribution and Evolution of the Hydrocarbon Pool and Implications for Catalytic Performance. In ACS CATALYSIS. ISSN 2155-5435, JUN 15 2023, vol. 13, no. 13, p. 8642-8661. Dostupné na: https://doi.org/10.1021/acscatal.3c02140. SHOSTAK, V. - REDEKOP, E. - OLSBYE, U. Parametric sensitivity analysis of the transient adsorption-diffusion models for hydrocarbon transport in microporous materials. In CATALYSIS TODAY. ISSN 0920-5861, MAY 1 2023, vol. 417. Dostupné na: https://doi.org/10.1016/j.cattod.2022.05.050. YASUMURA, S. - KATO, T. - TOYAO, T. - MAENO, Z. - SHIMIZU, K. An automated reaction route mapping for the reaction of NO and active species on Agsub4/sub clusters in zeolites. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, MAR 22 2023, vol. 25, no. 12, p. 8524-8531. Dostupné na: https://doi.org/10.1039/d2cp04761f. YANG, F. - ZHOU, Q.M. - WANG, J. - DING, H.X. - ZHU, X.D. - ZHU, K.K. - FAN, W.B. Conquering the solubility barrier of di-n-octylamine as structure-directing agent in hierarchical silicoaluminophosphate synthesis by using phase-transfer synthesis. In CHEMICAL ENGINEERING JOURNAL. ISSN 1385-8947, APR 1 2023, vol. 461. Dostupné na: https://doi.org/10.1016/j.cej.2023.141887. LIU, P. - LIU, Q. - LIU, W. - PENG, S.Z. - MEI, D.H. Mechanistic insights into positional and skeletal isomerization of cyclohexene in the H-BEA zeolite. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, AUG 3 2022, vol. 24, no. 30, p. 18043-18054. Dostupné na: https://doi.org/10.1039/d2cp02310e. POUR, A.N. - MOHAMMADI, A. Effect of ZSM-5 zeolite porosity on catalytic cracking of in/i-heptane. In NEW JOURNAL OF CHEMISTRY. ISSN 1144-0546, AUG 15 2022, vol. 46, no. 32, p. 15585-15595. Dostupné na: https://doi.org/10.1039/d2nj03251a. ZHANG, M.W. - LIU, L.L. - WANG, L. - ZHANG, X.W. - LI, G.Z. Four-Carbon Segmented Discrete Hydrocracking of Long-Chain Paraffins in MTT Channels Following a Pore-Mouth Mechanism. In ACS CATALYSIS. ISSN 2155-5435, AUG 19 2022, vol. 12, no. 16, p. 10313-10325. Dostupné na: https://doi.org/10.1021/acscatal.2c03090. AGARWAL, U. - RIGUTTO, M.S. - ZUIDEMA, E. - JANSEN, A.P.J. - POURSAEIDESFAHANI, A. - SHARMA, S. - DUBBELDAM, D. - VLUGT, T.J.H. Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case. In JOURNAL OF CATALYSIS. ISSN 0021-9517, NOV 2022, vol. 415, p. 37-50. Dostupné na: https://doi.org/10.1016/j.jcat.2022.09.026. Kategória ADCA - Vedecké práce v zahraničných karentovaných časopisoch impaktovaných Kategória (od 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Typ výstupu článok Rok vykazovania 2022 Registrované v WOS Registrované v SCOPUS Registrované v CCC DOI 10.1021/acscatal.1c04707 
článok
rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2022 2021 13.700 Q1 4.202 Q1
Počet záznamov: 1