Radical-Pair Formation in Hydrocarbon (Aut)Oxidation

The reaction profiles for the uni- and bimolecular decomposition of benzyl hydroperoxide have been studied in the context of initiation reactions for the (aut)oxidation of hydrocarbons. The unimolecular dissociation of benzyl hydroperoxide was found to proceed through the formation of a hydrogen-bonded radical-pair minimum located +181 kJ mol⁻¹ above the hydroperoxide substrate and around 15 kJ mol⁻¹ below the separated radical products. The reaction of toluene with benzyl hydroperoxide proceeds such that O−O bond homolysis is coupled with a C−H bond abstraction event in a single kinetic step. The enthalpic barrier of this molecule-induced radical formation (MIRF) process is significantly lower than that of the unimolecular O−O bond cleavage. The same type of reaction is also possible in the self-reaction between two benzyl hydroperoxide molecules forming benzyloxyl and hydroxyl radical pairs along with benzaldehyde and water as co-products. In the product complexes formed in these MIRF reactions, both radicals connect to a centrally placed water molecule through hydrogen-bonding interactions.     

Investigation of the sensitivity of turbulent closures and coupling of hybrid RANS‐LES models for predicting flow fields with separation and reattachment

Hybrid models have found widespread applications for simulation of wall‐bounded flows at high Reynolds numbers. Typically, these models employ Reynolds‐averaged Navier–Stokes (RANS) and large eddy simulation (LES) in the near‐body and off‐body regions, respectively. A number of coupling strategies between the RANS and LES regions have been proposed, tested, and applied in the literature with varying degree of success. Linear eddy‐viscosity models (LEVM) are often used for the closure of turbulent stress tensor in RANS and LES regions. LEVM incorrectly predicts the anisotropy of Reynolds normal stress at the RANS‐LES interface region. To overcome this issue, use of non‐linear eddy‐viscosity models (NLEVM) have started receiving attention. In this study, a generic non‐linear blended modeling framework for performing hybrid simulations is proposed. Flow over the periodic hills is used as the test case for model evaluation. This case is chosen due to complex flow physics with simplified geometry. Analysis of the simulations suggests that the non‐linear hybrid models show a better performance than linear hybrid models. It is also observed that the non‐linear closures are less sensitive to the RANS‐LES coupling and grid resolution. Copyright © 2016 John Wiley & Sons, Ltd.     

Application of extended Prelle–Singer procedure to the generalized modified Emden type equation

In this paper we investigate the integrability and linearization of a generalized modified Emden type equation. We derive integrating factors and integrals of motion for this equation through the extended Prelle–Singer (PS) procedure and obtain the general solution. We deduce linearizing transformations by using a new procedure. We also report general solutions for two special cases, which cannot be obtained from the general case.     

NiO/ZnO Composite Derived Metal-Organic Framework as Advanced Electrode Materials for Zinc Hybrid Redox Flow Battery

NiO/ZnO composite derived metal-organic framework (MOF) is used as to modify carbon felt (CF) via a conventional solid-state reaction followed by ultrasonication. The prepared electrode material is used in zinc-hybrid redox flow batteries (RFBs) due to their high redox activity of Zn²⁺/Zn. The electrochemical performance of composite modified CF and pre-treated CF was studied by cyclic voltammetry (CV) in 0.5 M aqueous zinc chloride with 5 M potassium hydroxide solutions showed clear confirmation for enhanced electrocatalytic activity. The unique porous structure of NiO/ZnO-derived MOF with increased surface area improves the battery behavior significantlyThe peak current ratio for the as-prepared material is about 3 times higher than that of the pre-treated CF due to more active sites. Zinc-based RFB with modified CF electrode exhibited better electrochemical performance with voltage efficiency (VE, 88 %), which is higher than true redox flow batteries.     

Recursive merge sort with erroneous comparisons

In this paper, we analyze the recursive merge sort algorithm and quantify the deviation of the output from the correct sorted order if the outcomes of one or more comparisons are in error. The disorder in the output sequence is quantified by four measures: the number of runs, the smallest number of integers that need to be removed to leave the sequence sorted, the number of inversions, and the smallest number of successive exchanges needed to sort the sequence. For input sequences whose length is large compared to the number of errors, a comparison is made between the robustness to errors of bubble sort, straight insertion sort, and recursive merge sort.     

Mass synchronization: occurrence and its control with possible applications to brain dynamics

Occurrence of strong or mass synchronization of a large number of neuronal populations in the brain characterizes its pathological states. In order to establish an understanding of the mechanism underlying such pathological synchronization, we present a model of coupled populations of phase oscillators representing the interacting neuronal populations. Through numerical analysis, we discuss the occurrence of mass synchronization in the model, where a source population which gets strongly synchronized drives the target populations onto mass synchronization. We hypothesize and identify a possible cause for the occurrence of such a synchronization, which is so far unknown: Pathological synchronization is caused not just because of the increase in the strength of coupling between the populations but also because of the strength of the strong synchronization of the drive population. We propose a demand controlled method to control this pathological synchronization by providing a delayed feedback where the strength and frequency of the synchronization determine the strength and the time delay of the feedback. We provide an analytical explanation for the occurrence of pathological synchronization and its control in the thermodynamic limit.     

Robust stability analysis for Markovian jumping interval neural networks with discrete and distributed time-varying delays

This paper investigates robust stability analysis for Markovian jumping interval neural networks with discrete and distributed time-varying delays. The parameter uncertainties are assumed to be bounded in given compact sets. The delay is assumed to be time-varying and belong to a given interval, which means that the lower and upper bounds of interval time-varying delays are available. Based on the new Lyapunov–Krasovskii functional (LKF), some inequality techniques and stochastic stability theory, new delay-dependent stability criteria have been obtained in terms of linear matrix inequalities (LMIs). Finally, two numerical examples are given to illustrate the less conservative and effectiveness of our theoretical results.     

Exponential synchronization of complex dynamical networks with Markovian jumping parameters using sampled-data and mode-dependent probabilistic time-varying delays

In this paper, the problem of exponential synchronization of complex dynamical networks with Markovian jumping parameters using sampled-data and Mode-dependent probabilistic time-varying coupling delays is investigated. The sam- pling period is assumed to be time-varying and bounded. The information of probability distribution of the time-varying delay is considered and transformed into parameter matrices of the transferred complex dynamical network model. Based on the condition, the design method of the desired sampled data controller is proposed. By constructing a new Lyapunov functional with triple integral terms, delay-distribution-dependent exponential synchronization criteria are derived in the form of linear matrix inequalities. Finally, two numerical examples are given to illustrate the effectiveness of the proposed methods.