Browsing NTNU Open by Author "Wang, Yalan"
Now showing items 1-14 of 14
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Cluster-size-dependent interaction between ethylene and CuCl2 clusters supported via γ-alumina
Qi, Yanying; Fenes, Endre; Ma, Hongfei; Wang, Yalan; Rout, Kumar Ranjan; Fuglerud, Terje; Marco, Piccinini; Chen, De (Peer reviewed; Journal article, 2020)Alumina-supported copper chloride serves as an industrial catalyst for ethylene oxychlorination, resulting from its high activity and selectivity. A better understanding of the detailed active site structure and reaction ... -
Critical review of catalysis for ethylene oxychlorination
Ma, Hongfei; Wang, Yalan; Qi, Yanying; Rout, Kumar Ranjan; Chen, De (Peer reviewed; Journal article, 2020)Ethylene oxychlorination is the key technology in vinyl chloride (VCM, the monomer of PVC, polyvinyl chloride) production to close the chlorine loop by consuming the HCl released from the former cracking step. Due to the ... -
Electrochemical syngas production from CO2 and water with CNT supported ZnO catalysts
Hjorth, Ida; Wang, Yalan; Li, Yahao; Buan, Marthe Emelie Melandsø; Nord, Magnue; Rønning, Magnus; Yang, Jia; Chen, De (Peer reviewed; Journal article, 2020)Electrochemical reduction of CO2 and H2O can provide a promising pathway to synthesis gas generation for renewable electric energy storage and fuel production with the closed anthropogenic carbon cycle. However, the lack ... -
Insight into Size- and Metal-Dependent Activity and the Mechanism for Steam Methane Re-forming in Nanocatalysis
Wang, Yalan; Xiao, Ling; Qi, Yanying; Yang, Jia; Zhu, Yi-An; Chen, De (Peer reviewed; Journal article, 2020)Systematic and in-depth understanding of size- and metal-dependent activity plays a pivotal role in nanocatalysis for rational design of highly efficient catalysts. Herein, we report an approach combining microkinetic ... -
Kinetic modeling of dynamic changing active sites in a Mars-van Krevelen type reaction: Ethylene oxychlorination on K-doped CuCl2/Al2O3
Ma, Hongfei; Sollund, Erling S.; Zhang, Wei; Fenes, Endre; Qi, Yanying; Wang, Yalan; Rout, Kumar Ranjan; Fuglerud, Terje; Piccinini, Marco; Chen, De (Peer reviewed; Journal article, 2020)A kinetic model was developed by taking into account the dynamic nature of the active sites in Mars–van Krevelen type catalytic reactions to predict the evolution of the reactant and product composition in the gas phase ... -
Model-aided catalyst prediction through descriptor-based hybrid semi-empirical approach
Wang, Yalan (Doctoral theses at NTNU;2019:67, Doctoral thesis, 2019)Model-aided catalyst prediction through descriptor-based hybrid semi-empirical approach Microkinetic model aided catalyst prediction is an advanced method for developing improved and novel catalysts without intensive ... -
New mechanism insights into methane steam reforming on Pt/Ni from DFT and experimental kinetic study
Niu, Juntian; Wang, Yalan; Qi, Yanying; Dam, Anh Hoang; Wang, Hongmin; Zhu, Yi-An; Holmen, Anders; Ran, Jingyu; Chen, De (Peer reviewed; Journal article, 2020)In this contribution, we combine density functional theory (DFT) calculations, experimental kinetic study and DFT-assisted analysis to elucidate the impact of the interface of monolayer Pt on the Ni surface on catalytic ... -
Nitrogen‐Doped Carbon-Assisted One‐pot Tandem Reaction for Vinyl Chloride Production via Ethylene Oxychlorination
Ma, Hongfei; Ma, Guoyan; Qi, Yanying; Wang, Yalan; Chen, Qingjun; Rout, Kumar Ranjan; Fuglerud, Terje; Chen, De (Peer reviewed; Journal article, 2020)A bifunctional catalyst comprising CuCl2/Al2O3 and nitrogen‐doped carbon was developed for an efficient one‐pot ethylene oxychlorination process to produce vinyl chloride monomer (VCM) up to 76 % yield at 250 °C and under ... -
Origin of potassium promotion effects on CuCl2/gamma-Al2O3 catalyzed ethylene oxychlorination
Qi, Yanying; Fenes, Endre; Ma, Hongfei; Wang, Yalan; Fuglerud, Terje; Marco, Piccinini; Chen, De (Peer reviewed; Journal article, 2020)Potassium promoters are widely used in industrial catalysts of ethylene oxychlorination to achieve optimum performance. However, the origin of the promoter effect is not fully understood. Herein, we investigated the potassium ... -
Origin of potassium promotion effects on CuCl2/gamma-Al2O3 catalyzed ethylene oxychlorination
Qi, Yanying; Fenes, Endre; Ma, Hongfei; Wang, Yalan; Fuglerud, Terje; Marco, Piccinini; Chen, De (Peer reviewed; Journal article, 2020)Potassium promoters are widely used in industrial catalysts of ethylene oxychlorination to achieve optimum performance. However, the origin of the promoter effect is not fully understood. Herein, we investigated the potassium ... -
Towards rational catalyst design: boosting the rapid prediction of transition-metal activity by improved scaling relations
Wang, Yalan; Xiao, Ling; Qi, Yanying; Mahmoodinia, Mehdi; Feng, Xiang; Yang, Jia; Zhu, Yi-An; Chen, De (Peer reviewed; Journal article, 2019)Understanding the scaling relations of adsorption energies and activation energies greatly facilitates the computational catalyst design. To reduce the computational cost and guarantee efficiency, improved scaling relations ... -
Understanding effects of Ni particle size on steam methane reforming activity by combined experimental and theoretical analysis
Wang, Yalan; Wang, Hongmin; Dam, Anh Hoang; Xiao, Ling; Qi, Yanying; Niu, Juntian; Yang, Jia; Zhu, Yi-An; Holmen, Anders; Chen, De (Journal article, 2019)Fundamental understanding of the size-dependent activity is essential to harness powers of the nanocatalysts. Here we report an experimental and theoretical study of the Ni particle size effect on activity of steam methane ... -
Understanding of K and Mg co-promoter effect in ethylene oxychlorination by operando UV–vis-NIR spectroscopy
Ma, Hongfei; Fenes, Endre; Qi, Yanying; Wang, Yalan; Rout, Kumar Ranjan; Fuglerud, Terje; Chen, De (Peer reviewed; Journal article, 2020)The comprehensive kinetic study for CuCl2/γ-Al2O3-based catalysts was performed to elucidate the co-promoter effect in the ethylene oxychlorination, one of the most significant industrial processes to produce vinyl chloride ... -
Unraveling Enhanced Activity, Selectivity, and Coke Resistance of Pt–Ni Bimetallic Clusters in Dry Reforming
Niu, Juntian; Wang, Yalan; Liland, Shirley Elisabeth Sjø; Regli, Samuel K.; Yang, Jia; Rout, Kumar Ranjan; Luo, Jun; Rønning, Magnus; Ran, Jingyu; Chen, De (Journal article; Peer reviewed, 2021)By introducing Pt atoms into the surface of reduced hydrotalcite (HT)-derived nickel (Ni/HT) catalysts by redox reaction, we synthesized an enhanced active and stable Ni-based catalyst for methane dry reforming reaction. ...