私密直播全婐app免费大渔直播,国产av成人无码免费视频,男女同房做爰全过程高潮,国产精品自产拍在线观看

Dehydrogenation of methanol on Pd(100) is systematically investigated using self-consistent periodic density functional theory. The theoretical results are compared with those of the same reaction on Pd(111) published very recently [J. Phys. Chem. C, 2009, 113, 4188-4197]. Switching from (111) to (100), adsorptions are strengthened for most species except for CHO, CO and H at hollow sites. Moreover, Pd(100) affords relatively low energy barriers and higher rate constants for most elementary dehydrogenation steps as well as smaller desorption rates for the saturated adsorbates (methanol and formaldehyde), suggesting that the more open Pd surface indeed possesses the higher activity and selectivity for the complete dehydrogenation of methanol. At lower temperatures (e.g., 250 K), Pd(100) affords the same dehydrogenation path as Pd(111) for methanol, which is unchanged on the latter surface at both lower and higher temperatures; whereas at the typical steam re-forming (MSR) temperature (500 K), the path on Pd(100), i.e., CH(3)OH --> CH(3)O and/or CH(2)OH --> CH(2)O --> CHO --> CO, is different from the situation of Pd(111). In both cases, the initial bond scission process constitutes the rate-determining step.