1. Innovative microkinetic modelling-supported structure–activity analysis of Ni/ZSM-5 during vapor-phase hydrogenation of levulinic acidHue-Tong Vu, Žan Lavrič, Andrii Kostyniuk, Goran Dražić, Miha Grilc, Blaž Likozar, Nataša Zabukovec Logar, Petar Djinović, Nataša Novak Tušar, 2024, izvirni znanstveni članek Objavljeno v DiRROS: 26.07.2024; Ogledov: 323; Prenosov: 579
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3. Biorefining twin transition : digitalisation for bio-based chemicals/materials - discovery, design and optimisationMatej Žula, Miha Grilc, Andrii Kostyniuk, Giorgio Tofani, Edita Jasiukaityte, Tina Ročnik, Ramesh Kumar Chowdari, Žan Lavrič, Janvit Teržan, Brigita Hočevar, Ana Jakob, Emilija Rakić, Brett Pomeroy, Miša Mojca Cajnko, Filipa A. Vicente, Dana Marinič, Ana Oberlintner, Uroš Novak, Davide Benedetto Tiz, Matej Huš, Blaž Likozar, 2023, izvirni znanstveni članek Objavljeno v DiRROS: 10.01.2024; Ogledov: 617; Prenosov: 278
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4. Selective glucose oxidation to glucaric acid using bimetallic catalysts : lattice expansion or electronic structure effect?Žan Lavrič, Janvit Teržan, Ana Kroflič, Janez Zavašnik, Joanna E. Olszówka, Štefan Vajda, Matej Huš, Miha Grilc, Blaž Likozar, 2024, izvirni znanstveni članek Povzetek: Our study presents a comprehensive approach for the selective oxidation of glucose to glucaric acid (GA) by heterogeneous catalysis. We have synthesized and characterized Au/ZrO2, AuCu/ZrO2 and AuPt/ZrO2 catalysts using X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and oxygen pulse chemisorption (OPS) techniques. Combining experimental observations with in-depth density functional theory (DFT) studies, we found that bimetallic catalysts form alloys, which exhibit different characteristics than monometallic counterparts for the given reaction. We performed batch reactions, varying temperature and oxygen pressure, and used the data to construct a predictive microkinetic model. As it turned out, AuPt/ZrO2 showed the highest selectivity, yielding 32 % of GA at 100 °C and 30 barg O2. Our results provide valuable insights for the developing of efficient catalysts and point out the bottlenecks for the oxidation of glucose to GA.
Ključne besede: glucaric acid, glucose oxidation, catalyst characterization, density functional theory, microkinetic modelling
Objavljeno v DiRROS: 06.12.2023; Ogledov: 610; Prenosov: 262
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