decanol, binary mixtures through the density and viscosity measurements has been studied as a function of composition and within the temperature range of 293.15−323.15 K. The excess molar volume and viscosity deviations have been calculated and fitted by the Redlich− Kister polynomial equation. For binary mixtures of cyclohexanone + 1pentanol, values of excess molar volume are negative and for other mixtures are positive. For all binary systems viscosity deviations are negative and increase with the alkyl chain of alcohol. The results provide information on the interactions among the molecules in the pure state as well as the binary liquid mixtures. The measured densities and viscosities have been applied to test the applicability of the PC-SAFT and free volume models.

The kinetics and molecular mechanism of the gas phase degenerate Cope rearrangement (DCR) of bullvalene have been investigated by applying quantum mechanical calculations.

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In this study, a one-pot, low-temperature synthesis method is considered for the fabrication of heteroatom dope multiwall carbon nanotubes (MWCNT). Doped MWCNT is utilized as an effective electrocatalyst for oxygen reduction reaction (ORR). Single, double, and triple doping of boron, nitrogen and sulfur elements are utilized as the dopants. A reflux system with temperature of 180 °C is implemented in the doping procedure. Actually, unlike the previous studies in which doping on the carbon structures was performed using a furnace at temperatures above 700 °C, in this green and sustainable method, the triple doping on MWCNT is conducted at atmospheric pressure and low temperature. The morphology and structure of the fabricated catalysts were evaluated by Fourier-transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and Raman spectroscopy. According to the results, the nanoparticles were encapsulated in the carbon nanotubes. Aggregated clusters of the sulfur in the case of S-MWCNT are considerable. Cyclic voltammetry (CV), rotating disk electrode, linear sweep voltammetry (LSV), and chronoamperometry electrochemical tests are employed for assessing the oxygen reduction activity of the catalysts. The results illustrate that by using this doping method, the onset potential shifts to positive values towards the oxidized MWCNT. It can be deduced that by doping the N, B, and S atoms on MWCNTs, the defects in the CNT structure, which serve as active sites for ORR application, increase. The N/S/B-doped graphitic layers have a more rapid electron transfer rate at the electrode/electrolyte interface. Thus, this can improve the electrochemistry performance and electron transfer of the MWCNTs. The best performance and electrochemical activity belonged to the NB-MWCNT catalyst (−0.122 V vs. Ag/AgCl). Also, based on the results gained from the Koutecky–Levich (KL) plot, it can be said that the ORR takes place through the 4 e− pathway.

The type and magnitude of interactions between diisobutyl ketone (DIBK) and a homologous series of 2-alkanols (2-propanol up to 2-pentanol) are studied in this paper using density and viscosity data. Studies have been carried out in a wide range of temperature (293.15 K to 323.15 K), atmospheric pressure, and in the entire range of composition. The calculated excess molar volumes of the above-mentioned systems are positive, and the viscosity deviations are negative. For the correlation of the density values of binary systems, the statistical association fluid theory (SAFT) and perturbed chain statistical association fluid theory (PC-SAFT) have been used, and the output of two models are compared by average absolute deviation. The results show that the PC-SAFT model is more efficient. Densities and viscosities reported for binary systems along with applied models are all novels, and so far no reports have been investigated in the scientific papers.