Abstract Bauxite residue (BR), a by-product of alumina and aluminum production, consists of high aluminum, silica, and iron content, and sodium from the bauxite ore digestion during the Bayer process. This waste is still being disposal into the lakes of mud, causing some environmental problems. So, the search for its application has gained interest...
Published in Kinetics and Catalysis
AbstractA method for solving the inverse problem of chemical kinetics based on the data of non-stationary experiments for multistage reactions is described. The method is based on the use of splines, which take into account the relaxation features of reactions with monotone kinetics. Examples of using the method to determine the intervals of physic...
Published in Theoretical Foundations of Chemical Engineering
AbstractA method has been presented for solving the inverse problem of chemical kinetics based on steady-state experimental data with different initial conditions (multiexperiments) taking into account measurement errors in an open nonisothermal gradientless reactor. Examples of using the method to determine the intervals of the physical values of ...
Published in ACS nano
Single-atom and single-particle catalysis is an area of considerable topical interest due to their potential in explaining important fundamental processes and applications across several areas. An interesting avenue in single-particle catalysis is spatial control of chemical reactivity within the particle by employing light as an external stimulus....
Published in Antioxidants
Currently, there is a growing interest in screening and quantifying antioxidants from biological samples in the quest for natural and effective antioxidants to combat free radical-related pathological complications. Antioxidant assays play a crucial role in high-throughput and cost-effective assessment of antioxidant capacities of natural products ...
Published in International Journal of Molecular Sciences
Nowadays, the problem of the model’s applicability domain (AD) definition is an active research topic in chemoinformatics. Although many various AD definitions for the models predicting properties of molecules (Quantitative Structure-Activity/Property Relationship (QSAR/QSPR) models) were described in the literature, no one for chemical reactions (...
V veliko primerih sodobnega opisovanja kemijskih reakcij postane število spremenljivk pri izračunih preveliko in je za pridobitev rešitev potrebno uporabiti numerične simulacijske metode. Ena izmed takšnih metod je tudi molekulska dinamika, ki se lahko na osnovi Newtonovih enačb gibanja uspešno uporablja za analizo in napovedovanje kemijskih in fiz...
Published in Computational Mathematics and Mathematical Physics
AbstractA new method for joint processing of experimental data from various laboratories based on their approximation by the generalized Arrhenius law is proposed. The method is based on the construction of a system of functions that are orthogonal on a given set of points with arbitrary weights. As a result, the confidence intervals of the approxi...
Published in Environmental analysis, health and toxicology
A mixture of 5-chloro-2-methylisothiazol-3(2H)-one/2-methylisothiazol-3(2H)-one (CMIT/MIT) had been used as an active ingredient in humidifier disinfectants (HDs). Owing to its high reactivity, the atmospheric concentration of CMIT/MIT, following its use in HD, would be lower than expected assuming that it is removed by ventilation only. In order t...
One of the promising processing methods for non-conductive structural and functional ceramics based on ZrO2, Al2O3, and Si3N4 systems is electrical discharge machining with the assistance of an auxiliary electrode that can be presented in the form of conductive films with a thickness up to 4&ndash / 10 µ / m or nanoparticles - granules, tubes,...
