Correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate

Experimental partition coefficient data have been compiled from the published literature for the water/methyl acetate, water/ethyl acetate and water/butyl acetate partition systems, log P data, and for the gas/methyl acetate, gas/ethyl acetate and gas/butyl acetate partition systems, log K data. Application of the Abraham solvation parameter model to the sets of partition coefficients leads to equations that correlate the log P data and log K data to 0.18 log units for the three dry alkyl acetate solvents. Slightly larger deviations were noted for solute partition into both wet ethyl acetate and wet butyl acetate. The derived correlations were validated using training set and test set analyses.     

Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase

Data have been compiled from the published literature on the partition coefficients of solutes and vapors into chloroform, carbon tetrachloride, dichloromethane and 1-chlorobutane from both water and from the gas phase. The logarithms of the water-to-chloroalkane (log P) and gas-to-chloroalkane partition coefficients (log K) are correlated with the Abraham solvation parameter model. The derived correlations describe the observed log P and log K values within standard deviations of about 0.13–0.20 log units. For chloroform and carbon tetrachloride, the derived correlations were validated using training set and test set analyses.     

Direct extraction of the Eliashberg function for electron-phonon coupling: a case study of Be(10(-)10)

We propose a systematic procedure to directly extract the Eliashberg function for electron-phonon coupling from high-resolution angle-resolved photoemission measurement. The procedure is successfully applied to the Be(10(-)10) surface, providing new insights into electron-phonon coupling at this surface. The method is shown to be robust against imperfections in experimental data and suitable for wider applications.     

STM investigations of CO coadsorption with O and with S on Ni(110)

The interaction between CO coadsorbed with oxygen and sulfur on Ni (110) has been studied with room temperature STM and LEED. In the case of CO/O/Ni(110)−(θ_o0.3 ML), it is found that due to a large local repulsion between the differing species, the coadsorbed species phase separate into large domains of O−(3 × 1) and CO−p2mg(2 × 1) structure. Similarly in the case of CO/S/Ni(110)−(θ_s0.4 ML), at low local coverages of coadsorbed CO, island segregation of CO and S-c(2 × 2) is observed. At locally saturated CO coverage, the S-c(2 × 2) structure transforms into long -S-S- chains running predominantly along the [ ] direction and separated by a local p2mg(2 × 1)-CO structure; this transformation is attributed to the large CO-CO repulsion in the condensed overlayer structure.