Fig. 6: Equilibrium constants, rate constant, and coverages for Pd-catalyzed furfural hydrogenation.
From: Impact of hydronium ions on the Pd-catalyzed furfural hydrogenation
a Calculated \({{{{{{\boldsymbol{K}}}}}}}_{{{{{{\boldsymbol{1}}}}}}}^{{{{{{\boldsymbol{o}}}}}}}\), k2, \({{{{{{\boldsymbol{\theta }}}}}}}_{{{{{{\boldsymbol{FH}}}}}}}\) and \({{{{{{\boldsymbol{\theta }}}}}}}_{{{{{{\boldsymbol{H}}}}}}}\) as a function of pH in furfural hydrogenation at 1 bar H2. b Correlation between \({{{{{{\boldsymbol{K}}}}}}}_{{{{{{\boldsymbol{1}}}}}}}^{{{{{{\boldsymbol{o}}}}}}}\) and \({{{{{{\boldsymbol{K}}}}}}}_{{{{{{{\boldsymbol{H}}}}}}}_{{{{{{\boldsymbol{2}}}}}}}}^{{{{{{\boldsymbol{o}}}}}}}\). The coverages are calculated using Eq. S5 with the measured and computed equilibrium constants as well as experimental reaction rates and the corresponding conditions. Source data are provided as a Source Data file.
