Topic
Chemical decomposition
About: Chemical decomposition is a research topic. Over the lifetime, 5210 publications have been published within this topic receiving 127503 citations. The topic is also known as: analysis reaction & chemical decomposition reaction.
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TL;DR: The ratio of the formic acid and H2O2 decomposition rates, as well as the dramatic effect of tert-butyl alcohol on these rates, confirmed that a solution chain reaction mechanism involving *OH controlled the decomposition kinetics of both compounds.
Abstract: This work examines the contribution of solution phase reactions, especially those involving a chain reaction mechanism, to the decomposition of hydrogen peroxide (H2O2) and organic compounds in the presence of dissolved iron and ferrihydrite. In solutions at pH 4, where Fe was introduced as dissolved Fe(III), both H2O2 and 14C-labeled formic acid decomposed at measurable rates that agreed reasonably well with those predicted by a kinetic model of the chain reaction mechanism, using published rate constants extrapolated to pH 4. The ratio of the formic acid and H2O2 decomposition rates, as well as the dramatic effect of tert-butyl alcohol on these rates, confirmed that a solution chain reaction mechanism involving •OH controlled the decomposition kinetics of both compounds. In the presence of ferrihydrite as the iron source, the ratio of the rate of formic acid decomposition to that of H2O2 decomposition was significantly lower than that observed in the presence of only dissolved Fe. Moreover, neither rate...
338 citations
TL;DR: In this paper, the degradation mechanism of a cyclic and linear carbonate-based electrolyte mixtures was investigated using NMR, FTIR and high resolution mass spectrometry (ESI-HRMS) analysis.
338 citations
TL;DR: Both the model prediction and the experimental results show that the decomposition rate could be complicated particularly by the availability of Fe2+.
330 citations
TL;DR: It is found that the rate-limiting step for this decomposition pathway is the abstraction of hydroxyl hydrogen from methanol, and stable intermediates and transition states are found to obey gas-phase coordination and bond order rules on the Pt(111) surface.
Abstract: A periodic, self-consistent, Density Functional Theory study of methanol decomposition on Pt(111) is presented. The thermochemistry and activation energy barriers for all the elementary steps, starting with O[bond]H scission and proceeding via sequential hydrogen abstraction from the resulting methoxy intermediate, are presented here. The minimum energy path is represented by a one-dimensional potential energy surface connecting methanol with its final decomposition products, CO and hydrogen gas. It is found that the rate-limiting step for this decomposition pathway is the abstraction of hydroxyl hydrogen from methanol. CO is clearly identified as a strong thermodynamic sink in the reaction pathway while the methoxy, formaldehyde, and formyl intermediates are found to have low barriers to decomposition, leading to very short lifetimes for these intermediates. Stable intermediates and transition states are found to obey gas-phase coordination and bond order rules on the Pt(111) surface.
325 citations
TL;DR: In this article, the decomposition of LiPF6 electrolytes with water was studied by measuring the water content after storage, and the experimental results were in good agreement with −d[H2O]/dt −=k[H 2O]2[LiPF6].
325 citations