Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 16606-55-6, Name is (R)-4-Methyl-1,3-dioxolan-2-one, molecular formula is C4H6O3, belongs to copper-catalyst compound. In a document, author is Muller, Andreas, introduce the new discover, HPLC of Formula: C4H6O3.
Shape and Surface Morphology of Copper Nanoparticles under CO2 Hydrogenation Conditions from First Principles
Predicting the state of Cu under a broad range of reaction conditions (pressure and temperature with various adsorbates: CO2, CO, H2O, H*, and O*) is an important property to understand CO2 hydrogenation catalysts. Here, unsupported copper (Cu) nanoparticles (NPs) were modeled in vacuum and under conditions relevant for CO2 hydrogenation conditions from first principles using density functional theory calculations; such models allow precise prediction of particle shapes and surface coverage of the relevant facets of Cu NPs over a large range of conditions relevant to CO2 hydrogenation. This model predicts that the Cu surfaces are fully reduced (in line with experimental results) and free of adsorbed oxygen (O*), H2O*, and CO2* under typical reaction conditions. Furthermore, the Cu(111) facet is at least partially covered with hydrogen (H*) and the Cu(110) facet is partially covered with adsorbed CO* at high reverse-water-gas-shift (RWGS) conversions, while the Cu(100) and Cu(211) facet remain adsorbate-free. Overall, the particle shape of Cu NPs under CO2 hydrogenation conditions is dominated by the (111) facet with a small area of the (100) facet being present (among all the facets considered). The final equilibrium particle shape is set during the initialization of the CO2 hydrogenation reaction and does not change even when the WGS equilibrium is reached.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 16606-55-6. HPLC of Formula: C4H6O3.
Reference:
Copper catalysis in organic synthesis – NCBI,
,Special Issue “Fundamentals and Applications of Copper-Based Catalysts”