Search results for " solution"
showing 10 items of 3084 documents
Quantum chemical modelling of point defects in KNbO3 perovskite crystals
2000
Abstract We present results of semi-empirical quantum chemical calculations for several perovskite KNb x Ta 1−x O 3 (KTN) solid solutions, as well as point intrinsic defects – F centers and hole polarons bound to K vacancy – in KNbO 3 . Method of the intermediate neglect of the differential overlap (INDO) was combined with typically 320-atom supercells and atomic geometry optimization. Analysis of the optimized atomic and electronic structure has clearly demonstrated that several nearest Nb atoms substituting for Ta in KTaO 3 – unlike Ta impurities in KNbO 3 – reveal the self-ordering effect, which probably triggers the ferroelectricity observed in KTN. We predict co-existence of one-site (…
(Liquid + liquid) equilibria of polymer-salt aqueous two-phase systems for laccase partitioning : UCON 50-HB-5100 with potassium citrate and (sodium …
2012
Aqueous two-phase systems (ATPS) are recognized as very suitable techniques for the recovery of target solutes in biological applications. Three new phase diagrams of (UCON 50-HB-5100 + potassium citrate + water), (UCON 50-HB-5100 + sodium formate + water), and (UCON 50-HB-5100 + potassium formate + water) systems were measured at 23 C. The binodal curves were successfully described using the empirical equation suggested by Merchuk and co-workers. The reliability of the tie-line data experimentally determined was evaluated using the equations reported by Othmer–Tobias and Bancroft and satisfactory linearity was obtained for all ATPS. Among the salts studied, potassium citrate proved to be t…
Characterization of pre-treatments on wood chips prior to delignification by near infrared spectroscopy
2017
A near infrared (NIR) spectroscopy-based method for predicting yields and lignin contents of differently pre-treated silver/white birch (Betula pendula/B. pubescens) and Scots pine (Pinus sylvestris) chips was developed. The approach was to create multivariate calibration models from the NIR data by the partial least squares (PLS) method. Both parameters are important factors when adjusting adequate conditions for pre-treatments either with hot-water (HW) as such and slightly acidified HW (collectively referred to as autohydrolysis) or dilute alkaline aqueous solutions prior to alkaline pulping. Pre-treatment conditions were varied with respect to temperature (130 °C and 150 °C) and treatme…
Modelling biological and chemically induced precipitation of calcium phosphate in enhanced biological phosphorus removal systems
2011
The biologically induced precipitation processes can be important in wastewater treatment, in particular treating raw wastewater with high calcium concentration combined with Enhanced Biological Phosphorus Removal. Currently, there is little information and experience in modelling jointly biological and chemical processes. This paper presents a calcium phosphate precipitation model and its inclusion in the Activated Sludge Model No 2d (ASM2d). The proposed precipitation model considers that aqueous phase reactions quickly achieve the chemical equilibrium and that aqueous-solid change is kinetically governed. The model was calibrated using data from four experiments in a Sequencing Batch Rea…
Elucidation of reaction process between solid tricalcium silicate and a lanthanum salt solution in connection with the precipitation pH. Extension to…
1993
Abstract Dissolution of tricalcium silicate is strongly accelerated in a La salt solution and releases the amounts of OH, Ca and silicate ions just required to precipitate all of lanthanum at pH 8. It remained to be proved that (1) La silicate hydrate could form at pH 8, and (2) Ca silicate hydrate could not precipitate simultaneously. The plot of silicate hydrate and hydroxide precipitation pH of La, Ca and other elements (Th, Zr) against the dropped volume of K2SiO3 and KOH solution and some physico-chemical characterization methods bring affirmative answers to these questions and allow the immobilization process of La and other elements in the presence of tricalcium silicate to be better…
Release and permeation profiles of spray-dried chitosan microparticles containing caffeic acid
2018
Made available in DSpace on 2018-12-11T17:17:17Z (GMT). No. of bitstreams: 0 Previous issue date: 2018-03-01 Caffeic acid (CA), a phenolic compound found in plants with antioxidant and antimicrobial activity, induces collagen production and prevents premature aging of the skin. The objective of this study was to develop two types of chitosan microparticles (MP) containing CA and to relate the morphology with the release and permeation profiles. One type of MP was prepared from a hydroalcoholic solution (MPI) and the other from an aqueous solution (MPII). Their morphology and size was evaluated by high-resolution scanning electron microscopy. The release profile of CA was evaluated using the…
Study of the synergistic interaction between nickel, gold and molybdenum in novel modified NiO/GDC cermets, possible anode materials for CH4 fueled S…
2013
Abstract The present study concerns the structural and physicochemical characterization of novel Au–Mo–NiO/GDC cermets, alongside with measurements of their carbon tolerance. This is an investigation on whether commercially available NiO/GDC powder that is modified with Au and/or Mo can yield possible electrocatalysts as anodes for CH4 fueled SOFCs. Specifically, the performed preparation methods of deposition-precipitation and deposition-coprecipitation permitted the modification of a commercial electrocatalyst and lead to cermets that exhibit different reaction kinetics for the catalytic dissociation of CH4 and different performance for CH4 steam reforming. The most interesting structural…
Rollio delle navi in presenza di onde modellate come processi gaussiani e poissoniani agenti simultaneamente.
2008
Obiettivo del presente lavoro è l’estensione del metodo della path integral solution (PIS) per lo studio della dinamica del rollio delle navi in presenza di onde modellate come processi gaussiani e poissionani agenti simultaneamente. Si è proceduto dapprima a mostrare come la PIS consenta di valutare l’evoluzione temporale della funzione densità di probabilità (PDF) del processo di risposta, applicando il metodo ad equazioni differenziali stocastiche soggette a forzanti esterne gaussiane e poissoniane. Successivamente si è trattato il caso di un sistema non lineare soggetto ad entrambi i rumori gaussiano e poissoniano agenti contestualmente. Si è infine affrontato sia analiticamente che num…
Step-along power vector method for astigmatic wavefront propagation
2013
Purpose To propose both a new algebraic solution and a graphical monitoring method for astigmatic wavefront propagation in the framework provided by power vectors. Methods The generalised propagation equation describing the propagation of astigmatic wavefronts from one plane to another is adapted to the power vectors formalism using a novel algorithm based on a step-along method. The step-along procedure is directly applied to the tuple of power vectors [M, J0, J45] representing an arbitrary astigmatic wavefront and it permits the calculation of the tuple of power vectors [M′, J′0, J′45] after a given propagation distance. This is achieved mathematically first by temporarily rotating the as…
The impact of high hydrostatic pressure on structure and dynamics of beta-lactoglobulin
2013
Abstract Methods Combining small-angle X-ray and neutron scattering measurements with inelastic neutron scattering experiments, we investigated the impact of high hydrostatic pressure on the structure and dynamics of β-lactoglobulin (βLG) in aqueous solution. Background βLG is a relatively small protein, which is predominantly dimeric in physiological conditions, but dissociates to monomer below about pH 3. Results High-pressure structural results show that the dimer–monomer equilibrium, as well as the protein–protein interactions, are only slightly perturbed by pressure, and βLG unfolding is observed above a threshold value of 3000 bar. In the same range of pressure, dynamical results put …