Stochastic PAC models for vacancy motions with trapping and detrapping

In order to explain PAC data for tetragonal zirconia at temperatures between 900 and 1300oC, we have developed a four-state stochastic model. The model simulates vacancies which trap and detrap at a PAC probe nucleus. While trapped, the vacancies hop around the probe in equivalent sites. The four states in this Winkler–Gerdau stochastic theory are three trapped states with equivalent electric field gradients (EFGs) of different orientations and a detrapped state with a weaker EFG whose axis of symmetry is oriented along the diagonal between the three trapped EFGs. There are three hopping rates in this model: w, the rate a trapped vacancy hops around the probe, w_D, the detrapping rate, and w_t, the trapping rate. We report results of calculations for values of these hopping rates implied by our tetragonal zirconia data, and we report heuristic fitting functions which summarize the computer results and can be used to fit data efficiently for a wide range of parameters. This revised version was published online in August 2006 with corrections to the Cover Date.     

Reaction and surface characterization study of Zn/Cr-based higher-alcohol synthesis catalysts X: Effects of excess promoter loading on surface chemistry

Promoter loading level significantly affects the catalytic behavior of Zn/Cr spinel higher alcohol synthesis (HAS) catalysts. In this study a 5.9 wt.% Pd-promoted Zn/Cr spinel with a 5 and 7 wt.% K promoter have been tested and compared. At 1500 psig and 400°C, the catalyst containing 5 wt.% K results in the production of slightly more butanol, less methanol and more hydrocarbons. Using ion scattering spectroscopy and X-ray photoelectron spectroscopy, differences are found between the two catalyst surfaces which must be responsible for the differences in catalytic behavior.     

Monochromator Wavelength Calibration Standards Extending into the Near-Infrared Using Second- and Third-Order Emission Lines from Mercury Vapor Lamps

The emission spectra of four mercury vapor lamps are used to obtain wavelength calibration curves for the double-grating emission monochromator of a spectrofluorimeter. The use of second- and third-order diffraction lines and emission lines from the argon carrier gas provides a rich spectrum, which extends well into the near-infrared spectral region and produces an improved calibration curve. More than 60 emission lines are listed between 250 and 900 nm, which is sufficient to produce an extremely accurate monochromator calibration. Additional second- and third-order lines can be used to even longer wavelengths (>1200 nm). The effectiveness of three scattering surfaces is compared.     

A major index for matchings and set partitions

We introduce a statistic pmaj(P) for partitions of [n], and show that it is equidistributed with cr₂, the number of 2-crossings, over all partitions of [n] with given sets of minimal block elements and maximal block elements. This generalizes the classical result of equidistribution for the permutation statistics inv and maj.     

Linked partitions and linked cycles

The notion of noncrossing linked partition arose from the study of certain transforms in free probability theory. It is known that the number of noncrossing linked partitions of [n+1] is equal to the n-th large Schröder number r_n, which counts the number of Schröder paths. In this paper we give a bijective proof of this result. Then we introduce the structures of linked partitions and linked cycles. We present various combinatorial properties of noncrossing linked partitions, linked partitions, and linked cycles, and connect them to other combinatorial structures and results, including increasing trees, partial matchings, k-Stirling numbers of the second kind, and the symmetry between crossings and nestings over certain linear graphs.