Search Results - "Du, Yu-Jue" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

First-principles microkinetic analysis of Lewis acid sites in Zn-ZSM-5 for alkane dehydrogenation and its implication to methanol-to-aromatics conversion

First-principles microkinetic analysis of Lewis acid sites in Zn-ZSM-5 for alkane dehydrogenation and its implication to methanol-to-aromatics conversion

by Du, Yu-Jue, Hu, Wen-De, Wang, Chuan-Ming, Zhou, Jian, Yang, Guang, Wang, Yang-Dong, Yang, Wei-Min
Published in Catalysis science & technology (29.03.2021)

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Journal Article

Comparison of Ethylation at External Surface and Internal Cavity of H‐MCM‐22 Zeolite from Theoretical Calculations

Comparison of Ethylation at External Surface and Internal Cavity of H‐MCM‐22 Zeolite from Theoretical Calculations

by Du, Yu‐Jue, Wang, Chuan‐Ming, Yang, Guang, Yang, Wei‐Min
Published in Chinese journal of chemistry (01.01.2020)

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Simple structure descriptors quantifying the diffusion of ethene in small-pore zeolites: insights from molecular dynamic simulations

Simple structure descriptors quantifying the diffusion of ethene in small-pore zeolites: insights from molecular dynamic simulations

by Yang, Guang, Wang, Chuan-Ming, Li, Yi, Du, Yu-Jue, Wang, Yang-Dong, Xie, Zai-Ku
Published in Inorganic chemistry frontiers (12.04.2022)

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A theoretical investigation on the influence of anatase support and vanadia dispersion on the oxidative dehydrogenation of propane to propene

A theoretical investigation on the influence of anatase support and vanadia dispersion on the oxidative dehydrogenation of propane to propene

by Du, Yu-Jue, Li, Zhen Hua, Fan, Kang-Nian
Published in Journal of molecular catalysis. A, Chemical (15.11.2013)

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First-principles kinetic study on benzene alkylation with ethanol vs. ethylene in H-ZSM-5

First-principles kinetic study on benzene alkylation with ethanol vs. ethylene in H-ZSM-5

by Wang, Dong, Wang, Chuan-Ming, Yang, Guang, Du, Yu-Jue, Yang, Wei-Min
Published in Journal of catalysis (01.06.2019)

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Mechanistic proposal for the conversion of syngas to light alkanes in Zn-ZSM-5 zeolite linking theoretical calculations to experimental characterizations

Mechanistic proposal for the conversion of syngas to light alkanes in Zn-ZSM-5 zeolite linking theoretical calculations to experimental characterizations

by Wang, Chuan-Ming, Hu, Wen-De, Du, Yu-Jue, Yang, Guang, Ke, Jun, Chen, Yun-Lei, Wang, Yang-Dong
Published in Microporous and mesoporous materials (15.01.2024)

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First-principles-based microkinetic simulations of syngas to methanol conversion on ZnAl2O4 spinel oxide

First-principles-based microkinetic simulations of syngas to methanol conversion on ZnAl2O4 spinel oxide

by Hu, Wen-De, Wang, Chuan-Ming, Wang, Yang-Dong, Ke, Jun, Yang, Guang, Du, Yu-Jue, Yang, Wei-Min
Published in Applied surface science (15.12.2021)

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Similarities and differences between aromatic-based and olefin-based cycles in H-SAPO-34 and H-SSZ-13 for methanol-to-olefins conversion: insights from energetic span model

Similarities and differences between aromatic-based and olefin-based cycles in H-SAPO-34 and H-SSZ-13 for methanol-to-olefins conversion: insights from energetic span model

by Wang, Chuan-Ming, Wang, Yang-Dong, Du, Yu-Jue, Yang, Guang, Xie, Zai-Ku
Published in Catalysis science & technology (01.01.2015)

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Microkinetic Simulations of Methanol-to-Olefin Conversion in H‑SAPO-34: Dynamic Distribution and Evolution of the Hydrocarbon Pool and Implications for Catalytic Performance

Microkinetic Simulations of Methanol-to-Olefin Conversion in H‑SAPO-34: Dynamic Distribution and Evolution of the Hydrocarbon Pool and Implications for Catalytic Performance

by Ke, Jun, Hu, Wen-De, Du, Yu-Jue, Wang, Yang-Dong, Wang, Chuan-Ming, Xie, Zai-Ku
Published in ACS catalysis (07.07.2023)

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Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon pool

Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon pool

by Wang, Chuan-Ming, Wang, Yang-Dong, Du, Yu-Jue, Yang, Guang, Xie, Zai-Ku
Published in Catalysis science & technology (01.01.2016)

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Aromatic-based hydrocarbon pool mechanism for methanol-to-olefins conversion in H-SAPO-18: A van der Waals density functional study

Aromatic-based hydrocarbon pool mechanism for methanol-to-olefins conversion in H-SAPO-18: A van der Waals density functional study

by Wang, Chuan-Ming, Wang, Yang-Dong, Liu, Hong-Xing, Yang, Guang, Du, Yu-Jue, Xie, Zai-Ku
Published in Chinese journal of catalysis (01.09.2015)

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Periodic density functional theory studies of the VOx/TiO2 (anatase) catalysts: Structure and stability of monomeric species

Periodic density functional theory studies of the VOx/TiO2 (anatase) catalysts: Structure and stability of monomeric species

by Du, Yu-Jue, Li, Zhen Hua, Fan, Kang-Nian
Published in Surface science (01.06.2012)

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Journal Article

Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon poolElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cy01419k

Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon poolElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cy01419k

by Wang, Chuan-Ming, Wang, Yang-Dong, Du, Yu-Jue, Yang, Guang, Xie, Zai-Ku
Year of Publication 03.05.2016

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Similarities and differences between aromatic-based and olefin-based cycles in H-SAPO-34 and H-SSZ-13 for methanol-to-olefins conversion: insights from energetic span modelElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cy00483g

Similarities and differences between aromatic-based and olefin-based cycles in H-SAPO-34 and H-SSZ-13 for methanol-to-olefins conversion: insights from energetic span modelElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cy00483g

by Wang, Chuan-Ming, Wang, Yang-Dong, Du, Yu-Jue, Yang, Guang, Xie, Zai-Ku
Year of Publication 17.08.2015

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H-SAPO-18催化甲醇制烯烃反应的芳烃烃池机理：基于范德华校正的密度泛函理论研究

H-SAPO-18催化甲醇制烯烃反应的芳烃烃池机理：基于范德华校正的密度泛函理论研究

by 王传明王仰东刘红星杨光杜钰珏谢在库
Published in 催化学报 (2015)

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通过调变碳纳米管大π体系与含氧官能团的共轭作用以改变碳纳米管的催化性能

通过调变碳纳米管大π体系与含氧官能团的共轭作用以改变碳纳米管的催化性能

by 杜钰珏李振华范康年
Published in 催化学报 (2013)

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