Methanation of CO over Ni catalyst: A theoretical study

Theoretical methods (generalized valence‐bond calculations) were used to examine the bond energies and geometries of numerous species chemisorbed onto Ni clusters representing Ni surface. These results were used to obtain thermochemical information and to examine various mechanisms for the methanation of CO over Ni: CO+3H^(→)_(2(Ni)) CH_4+H_2O. It is found that chemisorbed formyl radicals (Ni–CHO) lead to a favorably appearing chain reaction that is consistent with current experimental results. In addition, we find a chemisorbed C_2 species that may be the catalytically active C_(ad) formed from dissociation of CO

Theoretical studies of nickel clusters and chemisorption of hydrogen

First principles calculations of high- and low-symmetry clusters (up to Ni87) are reported. Macroscopic properties [ionization potential (IP), electron affinity (EA), and bandwidth] are not sensitive to cluster symmetry and, except for EA, are converged to bulk values by Ni87. Even for Ni87 the EA is over 2.5 eV smaller than the IP; the origin of this effect is discussed. The chemisorption of hydrogen is considered on the low-symmetry clusters, where it is found that threefold and fourfold sites are most favored with bond energies of [angle]3 eV for both types of sites. Geometries are not cluster sensitive with R (NiH) values of 1.57, 1.62, and 1.78 Å for twofold, threefold, and fourfold sites, respectively. Vibrational frequencies for these sites are 1420, 1212, and 592 cm^–1, respectively

Surface effects on the orbital order in the single layered manganite La0.5Sr1.5MnO4

We report the first observation of `orbital truncation rods' -- the scattering arising from the termination of bulk orbital order at the surface of a crystal. The x-ray measurements, performed on a cleaved, single-layered perovskite, La0.5Sr1.5MnO4, reveal that while the crystallographic surface is atomically smooth, the orbital `surface' is much rougher, with an r.m.s. deviation from the average `surface' of ~0.7nm. The temperature dependence of this scattering shows evidence of a surface-induced second order transition.Comment: 13 pages, 4 figure

111th Congress

This report discusses federal laws and regulations regarding fish and marine mammals that are important resources in open ocean and nearshore coastal areas. These lows and regulations guide their management as well as the management of their habitat

112th Congress

This report provides the information related to the fishery, aquaculture, and marine mammal issues in the 112th Congres

Interacting crumpled manifolds

In this article we study the effect of a delta-interaction on a polymerized membrane of arbitrary internal dimension D. Depending on the dimensionality of membrane and embedding space, different physical scenarios are observed. We emphasize on the difference of polymers from membranes. For the latter, non-trivial contributions appear at the 2-loop level. We also exploit a ``massive scheme'' inspired by calculations in fixed dimensions for scalar field theories. Despite the fact that these calculations are only amenable numerically, we found that in the limit of D to 2 each diagram can be evaluated analytically. This property extends in fact to any order in perturbation theory, allowing for a summation of all orders. This is a novel and quite surprising result. Finally, an attempt to go beyond D=2 is presented. Applications to the case of self-avoiding membranes are mentioned

Effects of Radiation from Fukushima Daiichi on the U.S. Marine Environment

The massive Tohoku earthquake and tsunami of March 11, 2011, caused extensive damage in northeastern Japan, including damage to the Fukushima Dai-ichi nuclear power installation, which resulted in the release of radiation. This report discusses concerns about the potential effects of this released radiation on the U.S. marine environment and resources