Bubble point pressure estimates from Gibbs ensemble simulations

Bubble pressure points of ethanol–1,1,1,2,3,3,3-heptafluoropropane (HFC-227ea refrigerant) mixtures from the third Industrial Fluid Properties Simulation Challenge are computed using publicly available molecular simulation software. Several published force fields are compared against the known answers provided in the contest guidelines and the best force fields are used to make predictions for the unknown results.     

Synthese und Eigenschaften von Sr3Mo1.5Zn0.5O7‐δ, einer Phase mit perowskitverwandter Schichtstruktur

Synthesis and Properties of the Layered Perovskite Phase Sr₃Mo_1.5Zn_0.5O_7‐δ The new layered perovskite phase Sr₃Mo_1.5Zn_0.5O_7‐δ was synthesized by solid state reaction using a Zn/ZnO oxygen buffer. The crystal structure was refined from X‐ray powder pattern by the Rietveld method. The compound crystallizes tetragonal in the space group I4/mmm (no. 139) with the lattice parameters a = 3.9631(3) Å, c = 20.583(1) Å. An oxygen deficiency corresponding to δ ≈ 0.25 was determinated, indicating the presence of molybdenum in mixed valence (Mo⁴⁺ and Mo⁶⁺).     

Resonance multiplicities in a hadron transport approach

In this article we focus on the multiplicities of resonances, ratios of resonant over non-resonant states and rescattering processes in heavy ion collisions. Therefore we utilize a hadron transport model (UrQMD v1.3). We find that rescattering of decay particles is of great importance when studying resonances in a hadronic medium.     

Boundary behavior in Hilbert spaces of vector-valued analytic functions

In this paper we study the boundary behavior of functions in Hilbert spaces of vector-valued analytic functions on the unit disc D. More specifically, we give operator-theoretic conditions on Mz, where Mz denotes the operator of multiplication by the identity function on D, that imply that all functions in the space have non-tangential limits a.e., at least on some subset of the boundary. The main part of the article concerns the extension of a theorem by Aleman, Richter and Sundberg in [A. Aleman, S. Richter, C. Sundberg, Analytic contractions and non-tangential limits, Trans. Amer. Math. Soc. 359 (2007)] to the case of vector-valued functions.     

The effectivity of solvents as electron pair donors

The effectivity of solvents as electron pair donors, their donicity as expressed by their donor numbers DN, is reexamined. The linear dependence of the enthalpy and the Gibbs free energy for the reaction of donor solvents with antimony pentachloride is affirmed. Extension of the DN scale by other measured quantities, via their linear correlations for sets of solvents where both kinds of data are known is applied to Drago's E-C scale, Kamlet's scale, and Koppel's B scale. This extension, added to previous extensions employing Selbin's D_{I, II} and Popov's ²³Na, produces a DN scale for 170 solvents. The relation of DN measured for isolated solvent molecules in 1,2-dichloroethane to DN values measured for bulk solvents is examined by means of the scaled particle theory and solute-solvent interaction terms. A scale of normalized donor numbers DN ^N is presented. These values are practically the same as the scale, and for those solvents for which DN values are presented here and values are lacking, they can serve in their place for those preferring to use the scale for donor solvents.     

Surface characterization of three marine bacterial strains by Fourier transform IR, X-ray photoelectron spectroscopy, and time-of-flight secondary-ion mass spectrometry, correlation with adhesion on stainless steel surfaces

Adhesion of bacterial strains on solid substrates is likely related to the properties of the outer shell of the micro-organisms. Aiming at a better understanding and control of the biofilm formation in seawater, the surface chemical composition of three marine bacterial strains was investigated by combining Fourier transform IR spectroscopy, X-ray photoelectron spectroscopy (XPS), and time-of-flight secondary-ion mass spectrometry (ToF-SIMS). The D41 strain surface showed evidence of proteins, as deduced from the NH2 and NCO XPS and ToF-SIMS fingerprints; this strain was found to adhere to stainless steel, glass, or Teflon surfaces in a much higher quantity (2 orders of magnitude) than the two other ones, DA and D01. The latter are either enriched in COOH or sulfates, and this makes them more hydrophilic and less adherent to all substrates. Correlations with physicochemical properties and adhesion seem to demonstrate the role of the external layer composition, in particular the role of proteins more than that of hydrophobicity, on their adhesion abilities.