Introducing a modified gradient vector method for optimization of accident prediction non-linear functions

In this paper, a new optimization method has been proposed for accident prediction non-linear models. This has been achieved by eliminating the Hessian matrix from the equation of optimal pace length in the gradient vector method. One advantage is that it is independent of the starting point in optimization processes and it provides convergence at the highest top as well. This method has been tested on an accident prediction model and its preference over the gradient vector method has been proven.     

Fabrication of new nanocomposites based on NiO-MWCNT-sodium dodecyl sulfate in the presence of Gundelia tournefortii extract: application for methanol electrooxidation in alkaline solution

Journal of Solid State Electrochemistry - In this study, new nanocomposites were fabricated based on NiO, multi-walled carbon nanotube (MWCNT), and sodium dodecyl sulfate (SDS). Next, they were...     

The energy level shift of one-electron atom in Anti-(de Sitter) space time

In the present study we consider the Hamiltonian of the Dirac equation in curved space in fermi normal coordinates to first order in the Riemann tensor, including the corrections to the electromagnetic field. Then the energy level shifts by the local curvature for both relativistic and nonrelativistic levels in (Anti-)de Sitter space-time are calculated.     

An Electropolymerized Pyrrole‐based Coating for Stir Bar Sorptive Extraction of Btex from Water Followed by Gas Chromatography‐Mass Spectrometry

A stir bar sorptive extraction (SBSE) technique was developed by the use of polypyrrole (PPy) sorbent, electropolymerized on the surface of a rod, as a possible alternative to solid‐phase microextraction (SPME). Liquid desorption was subsequently employed to transfer the extracted analytes into the injection port of a gas chromatography‐mass spectrometry (GC‐MS). The PPy sorbent including polypyrrole‐dodecyl sulfate (PPy‐DS) was deposited on the surface of a stainless steel rod from the corresponding aqueous electrolyte by applying a constant deposition potential. The developed method was applied to the trace level extraction of BTEX (benzene, toluene, ethylbenzene, o,p‐xylene) from aqueous sample. Optimization of influential experimental conditions including the voltage of power supply, the time of PPy electrodeposition, the extraction temperature, the ionic strength and the extraction time were also investigated. The detection limits of the method under optimized conditions were in the range of 0.01–0.1 ng·mL?¹. The relative standard deviations (RSD) at a concentration level of 1 ng·mL?¹ were obtained between 8% and 13% (n=6). The calibration curves of BTEX showed linearity in the range of 0.03 to 600 ng·mL?¹. The proposed method was successfully applied to the extraction of some selected BTEX from river water samples and the relative recoveries were higher than 90% for all the analytes.     

N-doped graphene as a nanostructure adsorbent for carbon monoxide: DFT calculations

ABSTRACT

This work reports the physisorption of carbon monoxide (CO) on the surface of N-doped graphene. To study the adsorption of CO on N-doped graphene, some quantum chemical calculations were used through density functional theory. Based on our results, it can be found that the CO molecule could be adsorbed on the surface of N-doped graphene physically with the adsorption energies (E_ads) of ?2.9 and ?0.8 kcal mol^?1 (depends on the kind of configuration) while positive adsorption energies were calculated upon adsorption of CO on pristine graphene. We used the charge analysis for calculation of the net transferred charge of adsorbed CO on pristine and N-doped graphene sheets to evaluate the sensing ability of surface. The global indices of reactivity were calculated from the differences of the lowest unoccupied molecular orbital and highest occupied molecular orbital energies. Graphs for density of states point to some orbital hybridisation between CO molecule and N-doped graphene. Consequently, the N-doped graphene transforms the existence of CO molecules into electrical signal, and it may be potentially used as a sensor for CO.