Thermal stability evaluation of exothermic chemical reactions is of great importance to the safer design and operation of chemical processes. Dominant reaction stoichiometries and their thermochemistry parameters are key elements in the evaluation process. Identification of significant reaction pathways under possible process conditions will lead to an understanding of the overall thermodynamic...

Ru(II) "piano-stool" complexes belong to group of biologically active metallocomplexes with promising anticancer activity. In this study, we investigate the reaction mechanism of [(η(6)-benzene)Ru(II)(en)(H(2)O)](2+) (en = ethylenediamine) complex binding to DNA by hybrid QM/MM computational techniques. The reaction when the Ru(II) complex is coordinated on N7-guanine from major groove is explo...

Motivated by the recent excess in electron recoil from XENON1T experiment, we consider possibility of exothermic dark matter, which is composed two states with mass splitting. The heavier state down-scatters off into lighter state, making an appropriate energy required for Xenon even standard Maxwellian velocity distribution matter. Accordingly, determine difference between component matter to ...

The classic two-state exothermic continuous stirred tank reactor (CSTR) is known to exhibit complex static and dynamic nonlinear behavior, which includes input and output multiplicities, hys-teresis (ignition/extinction behavior), parametric sensitivity, and nonlinear oscillations. An implicit assumption of the two-state CSTR model is that cooling jacket temperature is the manipulated input (fo...

A natural smectite sample has been modified by organofunctionalization process using synthetic route involved the reaction of 2-mercaptopyrimidine with 3-chloropropyltriethoxysilane. The resulting material (SMPY) was characterized by SEM, FTIR, textural analysis and 29Si MAS-NMR. The ability of this material to removed As (V) from aqueous solution was followed by series of adsorption isotherms ...

Cumene hydroperoxide (CHP) is widely used in chemical processes, mainly as an initiator for the polymerization of acrylonitrile-butadiene-styrene. It is a typical organic peroxide and an explosive substance. It is susceptible to thermal decomposition and is readily affected by contamination; moreover, it has high thermal sensitivity. The reactor tank, transit storage vessel, and pipeline used f...

A major item of thermal process safety, concerning the industrial realisation of exothermic reactions, is the determination of a temperature, where a reaction can be carried out without risk for humans, environment, and of economic loss. The so-called limit temperature Texo is a safety parameter for the reaction process and should not be mixed up with the Self Accelerating Decomposition Tempera...