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- W2893222394 abstract "Abstract A kinetic model describing the synthesis of 17 C 1 −C 7 products observed during oxidation of acrolein at 498 K over a promoted MoVO x catalyst is presented. Routes for C 1 and C 2 species production by C−C scission of acrolein and acrylic acid and C 4+ product generation by C−C bond formation, which involve reactions between either a vinyl or methyl surface species and either acrolein or acrylic acid, are discussed. The model accurately describes transient evolution of acrolein, O 2 , water, and 17 products in 33 independent batch reaction experiments. Forward simulation of the model matches experimental observation of instantaneous 13 C content across byproducts during a co‐feed of 13 C 3 acrylic acid, validating pathway and parameter accuracy. Estimation of surface coverages reveals comparable fractions of lattice oxygen and vacancy sites at all measured and . Comparison of model parameters governing production of CO and CO 2 shows that the two combustion products arise primarily from acrolein, with smaller contributions from acrylic acid, while comparison of rate and equilibrium parameters governing production of all other side products reveals that acrolein and acrylic acid play comparable roles in formation of these species." @default.
- W2893222394 created "2018-10-05" @default.
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- W2893222394 date "2018-11-07" @default.
- W2893222394 modified "2023-09-25" @default.
- W2893222394 title "Kinetic Modeling of Acrolein Oxidation Over a Promoted Mo−V Oxide Catalyst" @default.
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- W2893222394 doi "https://doi.org/10.1002/cctc.201801029" @default.
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