Developing the Low-Temperature Oxidation Mechanism of Cyclopentane: An Experimental and Theoretical Study

At present, the reactivity of cyclic alkanes is estimated by comparison with acyclic hydrocarbons. Due to the difference in the structure of cycloalkanes and acycloalkanes, the thermodynamic data obtained by analogy are not applicable. In this study, a molecular beam sampling vacuum ultraviolet photoionization time-of-flight mass spectrometer (MB-VUV-PI-TOFMS) was applied to study the low-temperature oxidation of cyclopentane (CPT) at a total pressure range from 1–3 atm and low-temperature range between 500 and 800 K. Low-temperature reaction products including cyclic olefins, cyclic ethers, and highly oxygenated intermediates (e. g., ketohydroperoxide KHP, keto-dihydroperoxide KDHP, olefinic hydroperoxides OHP and ketone structure products) were observed. Further investigation of the oxidation of CPT – electronic structure calculations – were carried out at the UCCSD(T)-F12a/aug-cc-pVDZ//B3LYP/6-31+ G(d,p) level to explore the reactivity of O₂ molecules adding sequentially to cyclopentyl radicals. Experimental and theoretical observations showed that the dominant product channel in the reaction of CPT radicals with O₂ is HO₂ elimination yielding cyclopentene. The pathways of second and third O₂ addition – the dissociation of hydroperoxide – were further confirmed. The results of this study will develop the low-temperature oxidation mechanism of CPT, which can be used for future research on accurately simulating the combustion process of CPT.     

Auto-deposition of 210Bi and 210Po on nickel discs and their application in the analysis of natural waters

Journal of Radioanalytical and Nuclear Chemistry - This study presents a time-efficient method of analysing 210Pb, 210Bi, and 210Po in natural waters. The optimum pH (1.00), temperature...     

Some Results on the Optimal Matching Problem for the Jacobi Model

Potential Analysis - We establish some exact asymptotic results for a matching problem with respect to a family of beta distributions. Let X1,…,Xn be independent random variables with common...     

A Stochastic Subgradient Method for Distributionally Robust Non-convex and Non-smooth Learning

Journal of Optimization Theory and Applications - We consider a distributionally robust formulation of stochastic optimization problems arising in statistical learning, where robustness is with...     

Excellent UV-absorbing cotton fabric with high durability and hydrophobicity based on surface-initiated ATRP of polymerizable organic UV-absorber

Cellulose - Ultraviolet (UV) protective cotton fabric is a convenient and reliable way to protect human body from sunlight. Herein, a polymerizable UV-absorber,...     

High-performance nonfused ring electron acceptor with a steric hindrance induced planar molecular backbone

Three nonfused ring electron acceptors (NFREAs) TTC6,TT-C8T and TT-TC8 were purposefully designed and synthesized.The molecular geometry can be adjusted by the steric hindrance of lateral substituents.According to the DFT calculations,from TTC6 to TT-C8T and TT-TC8,planarity of the molecular backbone is gradually improved,accompanying with the enhancing of intramolecular charge transfer effect.As for TT-TC8,the two phenyl substituents are almost perpendicular to the molecular backbone,which endues the acceptor with good solubility and suppresses it to form over-aggregation.Multidirectional regular molecular orientation and closer molecular stacking are formed in TT-TC8 film.As a result,TT-TC8 based devices afford the highest PCE of 13.13%,which is much higher than that of TTC6 (4.41%) and TT-C8T (10.42%) and among the highest PCE values based on NFREAs.     

Interfacial instability of ferrofluid flow under the influence of a vacuum magnetic field

This study is to numerically test the interfacial instability of ferrofluid flow under the presence of a vacuum magnetic field. The ferrofluid parabolized stability equations(PSEs) are derived from the ferrofluid stability equations and the Rosensweig equations, and the characteristic values of the ferrofluid PSEs are given to describe the ellipticity of ferrofluid flow. Three numerical models representing specific cases considering with/without a vacuum magnetic field or viscosity are created to mathematically examine the interfacial instability by the computation of characteristic values. Numerical investigation shows strong dependence of the basic characteristic of ferrofluid Rayleigh-Taylor instability(RTI) on viscosity of ferrofluid and independence of the vacuum magnetic field.For the shock wave striking helium bubble, the magnetic field is not able to trigger the symmetry breaking of bubble but change the speed of the bubble movement. In the process of droplet formation from a submerged orifice, the collision between the droplet and the liquid surface causes symmetry breaking. Both the viscosity and the magnetic field exacerbate symmetry breaking. The computational results agree with the published experimental results.     

Phase transition and scaling in Kuramoto model with high-order coupling

Nonlinear Dynamics - The classical Kuramoto model serves as a useful tool for studying synchronization transitions in coupled oscillators that is limited to the sinusoidal and pairwise...     

Fully Piecewise Linear Vector Optimization Problems

Journal of Optimization Theory and Applications - We distinguish two kinds of piecewise linear functions and provide an interesting representation for a piecewise linear function between two normed...