Effect of particle geometry on phase transitions in two-dimensional liquid crystals

Using a version of density-functional theory which combines Onsager approximation and fundamental-measure theory for spatially nonuniform phases, we have studied the phase diagram of freely rotating hard rectangles and hard discorectangles. We find profound differences in the phase behavior of these models, which can be attributed to their different packing properties. Interestingly, bimodal orientational distribution functions are found in the nematic phase of hard rectangles, which cause a certain degree of biaxial order, albeit metastable with respect to spatially ordered phases. This feature is absent in discorectangles, which always show unimodal behavior. This result may be relevant in the light of recent experimental results which have confirmed the existence of biaxial phases. We expect that some perturbation of the particle shapes (either a certain degree of polydispersity or even bimodal dispersity in the aspect ratios) may actually destabilize spatially ordered phases thereby stabilizing the biaxial phase.     

Calculation of cross sections for positron-Ar collisions

The three-body classical trajectory Monte-Carlo (CTMC) method is used to investigate positron-argon atom collisions. The total ionization cross sections are presented along with singly and doubly differential cross sections. The existence of the cusp-like peak in the triply differential electron and positron spectra at positron impact is predicted.     

Investigations of copper,silver and bismuth deposition on palladium in perchloric acid media

Investigations have shown that copper and silver ions deposited at more positive potentials than the Nernst potential—similarly to bismuth ions—are not adsorbed but form alloys with palladium. Similarly, in the case of metal deposition via the ionization of sorbed hydrogen, the same alloys were formed as observed by the potentiostatic method.     

Rapid and simple chromatographic separation of V(V) and V(IV) using KH-phthalate and their determination by flame atomic absorption spectrometry

A method was developed for the chromatographic separation of V(V) and V(IV) based on the different sorption forces of these vanadium species in C18 columns in presence of KH-phthalate. The vanadium species were detected with a flame atomic absorption spectrometer with acetylene/N₂O flame. The detection limits (3σ) of V(V) and V(IV) were 0.18 μg/mL and 0.15 μg/mL, respectively. The relative standard deviations (N = 5) are 4.2% and 3.4% for 20–20 μg/mL V(V) and V(IV), respectively. The sampling frequency is 75/h. Because of the special interaction occurring between phthalate and V(IV) on the C18 column and the acetylene/N₂O flame atomic absorption detection, practically no interferences can be detected even in large inorganic matrix.     

The algorithm of substructure recognition in organic compounds by the artificial intelligence method on the basis of IR-spectra

An algorithm for identification of the IR-active substructures has been developed. In the algorithm, which recognizes about 100 substructures, the analysis is based on three parameters for a set of characteristic bands: position, intensity and arbitrarily chosen diagnostics. The algorithm provides two ways of identification: a. standard method, which compares an IR spectrum with the correlation tables contained in the algorithm, b. dynamic method advanced here which consists in that the recognized substructures cause blocking of their characteristic bands making them almost inaccessible for further analysis.