Measurement of reaction rate constants using RCM: A case study of decomposition of dimethyl carbonate to dimethyl ether

Insight into the dehydration of high-concentration fructose to 5-hydroxymethylfurfural in oxygen-containing polar aprotic solvents

“…, etherification), while the poor performance of dimethyl carbonate (63.4%) could be ascribed to its thermal instability at elevated temperatures. 39,40…”

“…The low yield of ethylene glycol monomethyl ether as an oxygen-containing polar protonic solvent (61.4%) could be attributed to the reaction with 5-HMF (i.e., etherification), while the poor performance of dimethyl carbonate (63.4%) could be ascribed to its thermal instability at elevated temperatures. 39,40 Notably, polar aprotic solvents significantly improve the dehydration of fructose to 5-HMF. Compared to water, these solvents enhance the stabilization of the acidic proton relative to the protonated transition states, improve the reactivity of the Brønsted acid catalyst, and decrease the activation energy barrier, leading to accelerated reaction rates for the conversion of fructose to favour the formation of the desired 5-HMF.…”

Numerical Study toward Fast Intermediate Species Sampling with High Accuracy in a Rapid Compression Machine

“…As the colder disturbed region expands with time, a short IDT (∼18 ms) case was also tested using piston #2. This IDT is in the same range of that reported in previous fast sampling studies. , As shown in Figure , there are still a lot of disturbed gases entering the probe during sampling (15–17 ms), and the overall diluted ratio is as high as 55%. Yet, as the latter 1 ms of τ sample covers nearly 6% IDT, the sampled gases contain more composition from the latter stages of chemistry and thus counteract the dilution effect of the colder disturbed gases.…”

“…The sampling results are plotted at timestamps in the middle of the sampling interval and the given error bars of half the τ sample value (e.g., ±1 ms for τ sample = 2 ms) in the horizontal direction, as adopted in the literature. 17,19 The CFD-simulated species profiles at the core region agree well with that calculated by the 0D reactor for the two tested T c . The maximum error in the horizontal direction is the same as that in IDTs.…”

“…The average of the initial gas temperature and core gas temperature was then taken in their estimations, and the dilution ratios were reported as 30 and 12%, respectively. Zhang et al employed the fast sampling method in a pyrolysis study of dimethyl carbonate and proposed a method to measure the reaction rate constants based on the time-resolved species profiles. Wagnon et al measured the stable intermediates formed during the autoignition of trans-3-hexenoate using the same experimental apparatus as that in the work of Karwat et al ,, Uncertainties of the experimental data were given in horizontal (time) and vertical (species concentration) ways, which were, respectively, ±1.2 ms and ±50%.…”