Detailed chemical kinetic modeling based on computational quantum chemistry has been quite successful in making quantitative predictions about some systems, particularly the combustion of small hydrocarbons and certain areas of atmospheric chemistry. The gas phase chemistry of many processes in high-temperature inorganic systems, from materials synthesis to propulsion to waste incineration, cou...

Sucrose thermal degradation is an important reaction in the food industry. When in concentrated and neutral solutions, pure sucrose presents a lag phase in the reaction. This work aimed at: (i) modelling sucrose thermal degradation autocatalytic behaviour and (ii) studying the concentration and temperature effects on kinetic parameters. Isothermal experiments were conducted at temperatures rang...

In this paper, conventional SAPO-34 and Cerium Hierarchical SAPO-34 zeolites are synthesized using a hydrothermal method for methanol-to-propylene (MTP) reaction. The Ce-H-SAPO-34 catalyst shows a slightly larger crystal size, bimodal pore size distribution (microporous and mesoporous) and lower surface acidity compared to conventional SAPO-34 catalysts. According to these physicochemical prope...

In this work, the results of kinetic studies of the redox reaction of gold(III) chloride complexes ([AuCl4]) with formic acid, are presented. Obtained data suggest the complex character of the reaction which leads to the [AuCl2] and [AuCl3(COOH)] ions formation as intermediates. In the pH range over 2.5, the final product of the reaction is metallic gold. From the analysis of kinetic data, the ...

Reaction pathways and rate constants of gas-phase uranium and uranium oxide ions with O2 and H2O have been investigated using a quadrupole ion trap mass spectrometer (QIT-MS). A new reaction pathway is identified for the reaction between U2+ and H2O, which leads to the formation of UO+ via the intermediate UOH2+. Reaction rate constants are determined for several reactions by measuring the reac...

The retro-ene reaction is a common reaction of metastable immonium ions, leading to the expulsion of an alkene molecule. The kinetic energy release that accompanies this reaction decreases with alkyl substitution on the γ-carbon of the immonium ion. A number of authors have taken this result to indicate that the retro-ene reaction proceeds in a non-concerted manner via a carbocation intermediat...

The kinetic characteristics of the Ni/Al2O3 and Ni/MgO-Al2O3 catalysts were investigated in CO2 reforming of methane (CRM). The reaction orders (α and β) and the rate constant (k) were calculated using the non-linear regression analysis, in which the sum of the squared differences of calculated and experimental CO2 reforming of m...

A kinetic model for thiol–epoxy crosslinking initiated by tertiary amines has been proposed. The kinetic model is based on mechanistic considerations and it features the effect of the initiator, hydroxyl content, and thiol–epoxy ratios. The results of the kinetic model have been compared with data from the curing of off-stoichiometric formulations of diglycidyl ether of bisphenol A (DGEBA) cros...

This paper presents a kinetic analysis of the whole reaction course, i.e. of both the transient phase and the steady state, of open multicyclic enzyme cascade systems. Equations for fractional modifications are obtained which are valid for the whole reaction course. The steady state expressions for the fractional modifications were derived from the latter equations since they are not restricted...

Mathematical modeling is an indispensable tool for research and development in biotechnology and bioengineering. The formulation of kinetic models of biochemical networks depends on knowledge of the kinetic properties of the enzymes of the individual reactions. However, kinetic data acquired from experimental observations bring along uncertainties due to various experimental conditions and meas...