Your English writing platform
Discover LudwigExact(8)
DFT calculations confirm the formation of an n-butane σ-complex on PdO(1 0 1).
This work studies the process development for the purification of PDO (1, 3-propanediol) by SMB (simulated moving bed).
At low coverage, n-butane adsorbs on PdO(1 0 1) in a molecular state that is more strongly bound than n-butane physisorbed on Pd(1 1 1).
We investigated the molecular adsorption and dissociation of n-butane on a PdO(1 0 1) thin film using temperature-programmed reaction spectroscopy (TPRS) experiments and density functional theory (DFT) calculations.
For methane, we predict that coordination with a cus-Pd atom lowers the barrier for C H bond cleavage on PdO(1 0 1) by more than 100 kJ/mol.
This molecularly adsorbed state of n-butane on PdO(1 0 1) corresponds to a σ-complex that forms on the rows of coordinatively unsaturated (cus) Pd atoms of the oxide surface.
Similar(52)
Carbon recovery was calculated from the ratio of (carbon out)/(carbon in) where the formula C4H7O2N (Zeng et al., [1993]) was used for C. butyricum biomass; Y, Yield; PDO, 1,3-PDO; Buty, butyrate; Acet, acetate.
The data were well reproduced using spectra of metallic Pd (38 at.%) and PdO (62 at.%).
a Fitting results combined b PdO (62 at.%) and c Pd foil (38 at.%).
According to the literature, the Pd+2 (PdO) 3d5/2 and 3d3/2 binding energy values are around ∼337.0 and ~342.0 eV, respectively [28].
XPS measurements also revealed that PdO, Rh2O3 and PtO2 are the main phases in the mono and bimetallic catalysts.
Write better and faster with AI suggestions while staying true to your unique style.
Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com