Active and passive radon concentration measurements and first-step mapping in schools of Banja Luka, Republic of Srpska

Radon concentration measurements were performed in all 25 primary schools in Banja Luka city, the capital of Republika Srpska, during 2011 and 2012, using both active RAD7 continual radon measuring instruments and CR-39 passive (commercially known as Gamma) detectors. The two complimentary methods were employed not only to obtain annual averages, but also to study the dynamics of radon concentration changes during the week. For each school, average and temporal variations of radon concentrations were analysed, taking into consideration local geology, building materials and meteorological conditions. The influence of forced ventilation, caused by frequent opening of doors and windows during working hours, with typical dawn and weekend peaks is evident in most but not all schools. Elevated levels of radon concentration (>400 Bq m-3) were found in a few schools using both methods. Although high correlation factor of 0.8 between passive and active methods was found, still short-time (one-week) measurements cannot be used for annual estimation of radon activity but screening one. Thus, the conclusion concerns only long time measurements as valid indicator of annual radon activity.JRC.E.8-Nuclear securit

Structural and magnetic properties of Mn3-xCdxTeO6 (x = 0, 1, 1.5 and 2)

Mn3TeO6 exhibits a corundum-related A3TeO6 structure and a complex magnetic structure involving two magnetic orbits for the Mn atoms [*]. Mn3-xCdxTeO6 (x=0, 1, 1.5 and 2) ceramics were synthesized by solid state reaction and investigated using X-ray powder diffraction, electron microscopy, calorimetric and magnetic measurements. Cd2+ replaces Mn2+ cations without greatly affecting the structure of the compound. The Mn and Cd cations were found to be randomly distributed over the A-site. Magnetization measurements indicated that the samples order antiferromagnetically at low temperature with a transition temperature that decreases with increasing Cd doping. The nuclear and magnetic structure of one specially prepared 114Cd containing sample: Mn1.5(114Cd)1.5TeO6, was studied using neutron powder diffraction over the temperature range 2 to 295 K. Mn1.5(114Cd)1.5TeO6 was found to order in an incommensurate helical magnetic structure, very similar to that of Mn3TeO6 [*]. However, with a lower transition temperature and the extension of the ordered structure confined to order 240(10) {\AA}. [*] S. A. Ivanov et al. Mater. Res. Bull. 46 (2011) 1870.Comment: 20 pages, 8 figure

Makroporozni kopolimer na bazi glicidilmetakrilata funkcionalizovan sa dietilentriaminom kao sorbent tekstilne boje Reactive Black 5

In this paper, macroporous glycidyl methacrylate and ethylene glycol dimethacrylate copolymer functionalized with diethylene triamine (PGME-deta), was evaluated as Reactive Black 5 (RB5) sorbent. Batch RB5 removal from aqueous solution by PGME-deta was investigated by varying pH, contact time, sorbent dosage, initial dye concentration and temperature. The sorption is pH sensitive having maximum at pH 2 (dye removal of 85%), decreasing with the increase of pH (dye removal of 24% at pH 11) after 60 min. Sorption kinetics was fitted to chemical-reaction and particle-diffusion models (pseudo-first-, pseudo-second-order, intraparticle diffusion and Mckay models). The pseudo-second-order kinetic model accurately predicted the RB5 amount sorbed under all investigated operating conditions, while the intraparticle diffusion was the dominant rate-limiting mechanism. The diffusion mechanism was more prevalent with the decrease in temperature and the increase in concentration. The isotherm data was best fitted with the Langmuir model, indicating homogeneous distribution of active sites on PGME-deta and monolayer sorption, with the maximum sorption capacity of 353 mg g(-1). The calculated sorption rates improved with increasing temperature and an activation energy close to 40 kj mol(-1) was determined, suggesting that chemisorption was also rate-controlling.U okviru ovog rada ispitana je mogućnost korišćenja makroporoznog kopolimera glicidilmetakrilata i etilenglikoldimetakrilata funkcionalizovanog reakcijom otvaranja epoksidnih grupa sa dietilentriaminom (PGME-deta) kao sorbenta reaktivne tekstilne boje Reactive Black 5 (RB5). U šaržnim uslovima je ispitano uklanjanje RB5 iz vodenog rastvora pomoću PGME-deta, variranjem pH, vremena kontakta, mase sorbenta, početne koncentracije boje i temperature. PGME-deta je pokazao afinitet za sorpciju RB5 zbog prisustva protonovanih amino grupa koje privlače anjonske sulfonatne grupe u molekulu boje i mogućnosti stvaranja vodoničnih veza između sorbenta i sorbata. Kinetika sorpcije je analizirana pomoću četiri kinetička modela (pseudo-prvog, pseudo-drugog reda, unutarčestične difuzije i Mekej) da bi se odredilo koji model najbolje opisuje sorpciju RB5. Zapažen je izrazit uticaj pH vrednosti na sorpciju RB5, sa maksimumom na pH 2 (pri čemu je efikasnost uklanjanja boje 85%), i smanjenjem količine sorbovane boje sa povećanjem pH (količina uklonjene boje na pH 11 posle 60 min iznosi samo 24%). Izučavanjem kinetike sorpcije pokazalo se da sorpcija RB5 pomoću PGME-deta sledi kinetički model pseudo-drugog reda (PSO), sugerišući da je brzina sorpcije kontrolisana kapacitetom sorbenta i koncentracijom sorbata. Mehanizam procesa dominantno čini unutarčestična difuzija, uz manji uticaj difuzije kroz film. Ovi mehanizmi difuzije su izraženiji pri nižim temperaturama i većim koncentracijama. Langmirov model najbolje opisuje ravnotežnu izotermu, ukazujući na homogenu raspodelu aktivnih mesta na površini PGME-deta i monoslojnu sorpciju. Maksimalni sorpcioni kapacitet izračunat iz Langmirove izoterme iznosi 353 mg g-1. Zapaženo je da se brzina sorpcije povećava sa povećanjem temperature. Izračunata vrednost aktivacione energije od oko 40 kJ mol-1 potvrđuje da se radi o procesu koji dominantno kontroliše hemisorpcija

Ellipsoidal analysis of coordination polyhedra

The idea of the coordination polyhedron is essential to understanding chemical structure. Simple polyhedra in crystalline compounds are often deformed due to structural complexity or electronic instabilities so distortion analysis methods are useful. Here we demonstrate that analysis of the minimum bounding ellipsoid of a coordination polyhedron provides a general method for studying distortion, yielding parameters that are sensitive to various orders in metal oxide examples. Ellipsoidal analysis leads to discovery of a general switching of polyhedral distortions at symmetry-disallowed transitions in perovskites that may evidence underlying coordination bistability, and reveals a weak off-centre ‘d(5) effect' for Fe(3+) ions that could be exploited in multiferroics. Separating electronic distortions from intrinsic deformations within the low temperature superstructure of magnetite provides new insights into the charge and trimeron orders. Ellipsoidal analysis can be useful for exploring local structure in many materials such as coordination complexes and frameworks, organometallics and organic molecules

Experimental and theoretical investigations on the polymorphism and metastability of BiPO4

In this work we report the metastability and the energetics of the phase transitions of three different polymorphs of BiPO4, namely trigonal (Phase-I, space group P3(1)21), monoclinic monazite-type (Phase-II, space group P2(1)/n) and SbPO4-type monoclinic (Phase-III, space group P2(1)/m) from ambient and non-ambient temperature powder XRD and neutron diffraction studies as well as ab initio density functional theory (DFT) calculations. The symmetry ambiguity between P2(1) and P2(1)/m of the high temperature polymorph of BiPO4 has been resolved by a neutron diffraction study. The structure and vibrational properties of these polymorphs of the three polymorphs have also been reported in detail. Total energy calculations have been used to understand the experimentally observed metastable behavior of trigonal and monazite-type BiPO4. Interestingly, all of the three phases were found to coexist after heating a single phasic trigonal BiPO4 to 773 K. The irreversible nature of these phase transitions has been explained by the concepts of the interplay of the structural distortion, molar volume and total energy.This study was supported by the Spanish government MEC under grants no: MAT2010-21270-C04-01/04, by MALTA Consolider Ingenio 2010 project (CSD2007-00045), and by the Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia (UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11). S. N. A. acknowledges the support provided by Universitat de Valencia during his visit to it. A. M. and P. R.-H. acknowledge the computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster.Achary, SN.; Errandonea, D.; Muñoz, A.; Rodríguez Hernández, P.; Manjón Herrera, FJ.; Krishna, PSR.; Patwe, SJ.... (2013). Experimental and theoretical investigations on the polymorphism and metastability of BiPO4. Dalton Transactions. 42:14999-15015. https://doi.org/10.1039/c3dt51823jS14999150154

Preparation, structural, dielectric and magnetic properties of LaFeO3-PbTiO3 solid solutions

Solid solutions of (1-x)LaFeO3-(x)PbTiO3 (0<x<1) have been prepared by conventional solid-state reaction. These complex perovskites have been studied by means of X-ray (XRPD) and neutron powder (NPD) diffraction, complemented with dielectric, magnetic, heat capacity and M\"ossbauer measurements. Complete solubility in the perovskite series was demonstrated. The NPD and XRPD patterns were successfully refined as orthorhombic (x \leq 0.7) and tetragonal (x \geq 0.8). A composition-driven phase transformation occurs within the interval 0.7<x<0.8. The samples with x<0.5 showed evidence of long-range magnetic ordering with an G-type antiferromagnetic arrangement of the magnetic moments of the Fe3+ cations in the B-site with propagation vector k = (0,0,0). Based on the obtained experimental data, a combined structural and magnetic phase diagram has been constructed. The factors governing the structural, dielectric and magnetic properties of (1-x) LaFeO3 - (x)PbTiO3 solid solutions are discussed, as well as their possible multiferroicity.Comment: 33 pages, 15 figure

On the beneficial effect of noise in vertex localization

A theoretical and experimental analysis related to the effect of noise in the task of vertex identication in unknown shapes is presented. Shapes are seen as real functions of their closed boundary. An alternative global perspective of curvature is examined providing insight into the process of noise- enabled vertex localization. The analysis reveals that noise facilitates in the localization of certain vertices. The concept of noising is thus considered and a relevant global method for localizing Global Vertices is investigated in relation to local methods under the presence of increasing noise. Theoretical analysis reveals that induced noise can indeed help localizing certain vertices if combined with global descriptors. Experiments with noise and a comparison to localized methods validate the theoretical results

An evaluation of thoron (and radon) equilibrium factorclose towalls based on long-term measurements in dwellings

Thoron gas and its progeny behave quite differently in room environments, owing to the difference in their half-lives; therefore, it is important to measure simultaneously gas and progeny concentrations to estimate the time-integrated equilibrium factor. Furthermore, thoron concentration strongly depends on the distance from the source, i.e. generally walls in indoor environments. In the present work, therefore, the measurements of both thoron and radon gas and their progeny concentrations were consistently carried out close to the walls, in 43 dwellings located in the Sokobanja municipality, Serbia. Three different types of instruments have been used in the present survey to measure the time-integrated thoron and radon gas and their progeny concentrations simultaneously. The equilibrium factor for thoron measured ‘close to the wall’, FW Tn, ranged from 0.001 to 0.077 with a geometric mean (GM) [geometric standard deviation (GSD)] of 0.006 (2.2), whereas the equilibrium factor for radon, FRn, ranged from 0.06 to 0.95 with a GM (GSD) of 0.23 (2.0)

Isostructural second-order phase transition of b-Bi2O3 at high pressures: an experimental and theoretical study

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/jp507826jWe report a joint experimental and theoretical study of the structural and vibrational properties of synthetic sphaerobismoite (beta-Bi2O3) at high pressures in which room-temperature angle-dispersive X-ray diffraction (XRD) and Raman scattering measurements have been complemented with ab initio total energy and lattice dynamics calculations. Striking changes in Raman spectra were observed around 2 GPa, whereas X-ray diffraction measurements evidence no change in the tetragonal symmetry of the compound up to 20 GPa; however, a significant change exists in the compressibility when increasing pressure above 2 GPa. These features have been understood by means of theoretical calculations, which show that beta-Bi2O3 undergoes a pressure-induced isostructural phase transition near 2 GPa. In the new isostructural beta' phase, the Bi3+ and O2- environments become more regular than those in the original beta phase because of the strong decrease in the activity of the lone electron pair of Bi above 2 GPa. Raman measurements and theoretical calculations provide evidence of the second-order nature of the pressure-induced isostructural transition. Above 20 GPa, XRD measurements suggest a partial amorphization of the sample despite Raman measurements still show weak peaks, probably related to a new unknown phase which remains up to 27 GPa. On pressure release, XRD patterns and Raman spectra below 2 GPa correspond to elemental Bi-I, thus evidencing a pressure-induced decomposition of the sample during downstroke.Financial support from the Spanish Consolider Ingenio 2010 Program (MALTA Project CSD2007-00045) is acknowledged. This work was also supported by Brazilian Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) under Project 201050/2012-9, Spanish MICINN under Projects MAT2010-21270-004-01/03/04 and MAT2013-46649-C4-2/3/4-P, Spanish MINECO under Project CTQ2012-36253-C03-02, and from Vicerrectorado de Investigacion de la Universitat Politecnica de Valencia under Projects UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. JAS. acknowledges Juan de la Cierva fellowship program for financial support.Pereira, ALJ.; Sans Tresserras, JÁ.; Vilaplana Cerda, RI.; Gomis, O.; Manjón Herrera, FJ.; Rodriguez-Hernandez, P.; Muñoz, A.... (2014). Isostructural second-order phase transition of b-Bi2O3 at high pressures: an experimental and theoretical study. Journal of Physical Chemistry C. 118(40):23189-23201. https://doi.org/10.1021/jp507826jS23189232011184