Analysis and modeling for time-dependent behavior of polymers exhibited in nanoindentation tests

Through the arrangement of the applied load, experimental nanoindentation results of polymethylmethacrylate (PMMA) and polyurethane (PU) employed to establish a mechanical model. The proposed model consists of irreversible delayed plastic (viscoplastic) deformation, irreversible viscous deformation, and reversible delayed elastic (viscoelastic) deformations. The phase lag exhibited between the responding depth and the oscillating load is found to be linear proportional to frequency in the range of 1-50 Hz. The residual cavity profile of the PMMA scanned by an atomic force microscope gives a validity of accommodation assumption applied in the present model. The effects of overshooting, which occurred in the dwelling process, are also discussed.     

Vertical migration of 85Sr, 137Cs and 131I in various arable and undisturbed soils

The vertical migration of ⁸⁵Sr, ¹³⁷Cs and ¹³¹I in some arable and undisturbed single-contaminated soils was studied by gamma-spectrometry measurements under lysimetric laboratory conditions during irrigation of the soil profiles with wet atmospheric precipitation for about one year, except ¹³¹I. A new simple exponential compartment (box) model was derived, which makes it possible to calculate the migration rate constants and migration rates in the individual soil layers (vertical sections) as well as the total vertical migration rate constants and total vertical migration rates of radionuclides in the bulk soil horizon. The relaxation times of radionuclides in respective soil horizons can also be evaluated.     

Application of multiparameter equations to calculation of the mutual solubility in water-organic solvent binary systems

The solubility of organic liquids in water and of water in organic liquids is primarily determined by the capability of organic liquids for hydrogen bonding. Adequate generalization of the solubility data is possible only with multiparameter equations taking also into account other properties of organic components, including the cohesion and molar volume.     

Synthesis and studies of CuHg(NCX)4 (X = S,Se) and their complexes and application of the softness parameter in the elucidation of their structure

Complexes of CuHg(NCS)₄, CuHg(NCS)₂ (NCSe)₂ and CuHg(NCSe)₄ with tetrahydrofuran, dioxane, pyridine, 2-aminopyridine, nicotinamide, bipyridine and phenanthroline have been prepared and comparative studies made. Bipyridine and phenanthroline form cationic—anionic [CuL₃]²⁺ [Hg(SCN)₄]^2? (L = bipy, phen) complexes with CuHg(NCS)₄ and dinuclear bridged complexes with CuHg(NCSe)₄ and CuHg(NCS)₂ (NCSe)₂. For other ligands the nature of the complexes is binuclear or polynuclear. The comparative stability of the -XCN- bridge (X = S, Se) is CuHg(NCSe)₄ > CuHg(NCS)₂ (NCSe)₂ > CuHg(NCS)₄.     

Paper chromatography in the separation of ions

Summary A study has been made of the separation of alkali and alkaline earth metals. With mixtures of solvents, such as ethyl cellosolve, water and hydrochloric acid and acetone, water and hydrochloric acid in the ratio of 702010 and at different temperatures, a complete separation of alkaline earth metals was effected. Of the alkali metals only lithium, sodium and potassium could be separated from each other but rubidium and caesium always accompanied potassium.     

Separation of niobium and tantalum with benzo- and phenylacetylhydroxamic acids

Benzohydroxamic acid (I) or phenylacetylhydroxamic acid (II) is suggested for the quantitative separation of tantalum from niobium in an oxalate solution. The tantalum precipitate must be ignited for weighing; niobium is determined in the filtrate with another reagent. The pH range for complete separation is 4.0–6.4 for I and 4.5–6.2 for II. Single precipitation is satistactory for Nb: Ta ratios of 18 : 1 to 1 : 20 for I, and 8 : 1 to 1 : 23 for II. Titanium, zirconium, tartrate, citrate and a large excess of oxalate interfere.     

One-electron reduction of 9, 10-anthraquinone, 1-amino-9, 10-anthraquinone and 1-hydroxy-9, 10-anthraquinone in aqueous-isopropanol-acetone mixed solvent: A pulse radiolysis study

The semiquinone radicals produced by one-electron reduction of 9, 10-anthraquinone, 1-amino-9, 10-anthraquinone and 1-hydroxy-9, 10-anthraquinone have been characterized in aqueous-organic mixed solvent comprising of 30.2 mol dm⁻³ water, 5 mol dm⁻³ isopropanol and 1 mol dm⁻³ acetone, using the pulse radiolysis technique. Spectroscopic characteristics, the kinetic parameters of formation and decay and one acid dissociation constants of the semiquinones and one-electron reduction potentials of the quinones have been estimated. The characteristics of the present semiquinone systems have been compared with those of other similar systems. The observed differences in characteristics of the semiquinones due to different substitutions have been analysed.     

A variational coupled cluster theory for closed shells using a propagator modification procedure

A general partial summation method for including arbitrary classes of diagrams to all orders in the coupled cluster based size consistent energy functional for closed shell states is developed. Since the various reduced density matrices which appear in the energy functional are essentially the time-independent analogues of the corresponding many body Green functions, it is possible to derive Dyson-like equations for these quantities. By expanding the associated proper self energy parts in terms of the T-amplitudes, one can carry out partial summations in the reduced density matrices and thus in energy. At a higher level, higher order terms in a proper self energy can also be generated by renormalizing the internal propagators in it, and considering only the irreducible self-energy terms.     

Complexation of 6-Deoxy-6-(aminoethyl)amino-β-cyclodextrin with Sodium Cholate and Sodium Deoxycholate

In order to study its guest binding and the inclusion phenomena, 6-deoxy-6-(aminoethyl)amino--cyclodextrin (CDN) was synthesised and its binding properties examined. The complexation phenomena of sodium cholate (NaC) and sodium deoxycholate (NaDC) with CDN has been monitored by the NMR method using ¹³C chemical shift data. The method of continuous variation Job's method has been used to determine the stoichiometry of these supramolecular complexes. The Job's plot confirms the 1 : 1 supramolecular complex for NaC: CDN and the 1 : 2 supramolecular complex for NaDC: CDN. The interaction of NaC and NaDC with CDN has been obtained through two-dimensional Rotational Nuclear Overhauser Effect Spectroscopy (ROESY) NMR. Equilibrium constants were also obtained from ¹³C chemical shift data (C-1, C-3 & C-4) at different pH values (7, 9, & 11).