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5 articles for “Nickel catalyst”
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TiO2-ZrO2 Supported Nickel Oxide Catalysts for Hydrogenation of Levulinic Acid to -Valerolcatone
Abstract: The Titania-Zirconia (TZ) mixed oxide sample (50:50 wt.% percent) was prepared by a simple coprecipitation method and used as a support for the nickel catalyst. The various loadings of nickel content from 1 to 20 wt.% were synthesized for the production of γ-valerolactone (GVL) from levulinic acid (LA). Among all the tested samples, the 5 wt.% Ni/TZ sample exhibited the 98% conversion of LA and 96% selectivity to GVL and …
Published in Emerging Trends in Chemical Engineering · Vol. 9, Issue 3, 2022 · pp. 35–44 Read article
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Integrated Computational and Bio-catalytic Transformations: DFT-Guided Mechanistic Insights, Machine Learning, and Nano-biocatalyst Engineering for Sustainable Catalysis
Abstract: Computational catalysis has emerged as a transformative scientific discipline that integrates quantum chemistry, molecular modeling, machine learning, and density functional theory (DFT) to understand catalytic mechanisms and design highly efficient catalytic systems for sustainable industrial applications. The increasing global demand for environmentally responsible chemical manufacturing has accelerated research on advanced catalytic materials including transition metal catalysts, metal–organic frameworks (MOFs), homogeneous catalysts, heterogeneous systems, and bimetallic catalysts involving nickel and iron. …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 36–44 Read article
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From Quantum Chemistry to Bioprocess Intensification: Advanced Computational Modeling and Enzyme-Based Catalytic Platforms for Green Chemical Transformations
Abstract: Green chemistry requires the development of sustainable catalytic systems that minimize waste generation, reduce energy consumption, and improve process efficiency. Computational chemistry and biocatalysis have emerged as complementary approaches for environmentally responsible chemical manufacturing. Computational techniques such as quantum chemistry, density functional theory (DFT), molecular dynamics, and machine learning provide mechanistic insights into catalytic reactions and support the rational design of efficient catalysts. These approaches enable the prediction of reaction …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 45–52 Read article
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Azepines, Chemistry, Synthesis and Reactions
Abstract: Azepines, which consist of a seven-membered cyclic compound featuring six carbon atoms, an additional nitrogen atom, and no double bonds between carbons, form a diverse group within organic chemistry. The fully hydrated form of this compound is called azepam (C6H13N). Compounds and their variants play crucial roles in pharmaceutical research due to their biologic attributes like cancer-fighting, bacteria-killing, fungus-busting, virus-suppressing, and inflammation-reducing capabilities. Various organic molecules found within nature draw …
Published in International Journal of Minerals · Vol. 2, Issue 2, 2025 · pp. 35–45 Read article
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Cobalt-Iron Sulfide and Cobalt Sulfide of Cobalt –III Dithiocarbamate Complexes Synthesis and Efficacy for Photocatalytic Dilapidation of Tints
Abstract: Dithio Carbamate compounds comprising pyrrole moiety which is a hetero cyclic fragrant Carbon- based composite for identifying of anions of Cobalt-III, Methyl Ferro Cenyl Sulfoxide and Nickel-II complexes were used as only basis originators on behalf of working out of Sulfide & Iron Sulfide of Cobalt atoms. Infrared spectral notes on nanoparticles endorse the occurrence of coating agent – Tri- ethylenetetramine. The exploration of nano particles by photo reagents to …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 01–06 Read article