in this work, the thermal reaction of aluminum (al) and nickel oxide (nio) was investigated by molecular dynamics simulations. some effective features of reaction such as reaction temperature, the reaction mechanism, and diffusion rate of oxygen into aluminum structure were studied. reaxff force field was performed to study the al/nio thermite reaction behavior at five different temperatures (5...

the overall aim of this study is to calculate some water properties in the single wall carbon naotubes (swcnt) and compare them to the bulk water properties to investigate the deviation of water properties inside the swcnt from those in the bulk. here some physical and transport properties of water molecules in the single wall carbon nanotube were reported by performing molecular dynamics (md) ...

interaction of menthol with polyethylene terephthalate bottles during storage time was tested at three different temperatures. menthol is a mint flavor agent added to yogurt drinks in iran and is considered as a factor affecting consumer acceptance. absorption of menthol to packaging material could cause a loss of quality in the final product due to diminished flavor intensity. tests were done ...

Experimental data of methane adsorption on two types of activated carbon have been carried out at pressures up to 35 bar and at ambient temperature. Adsorption equilibrium and kinetics data at high pressure were measured using a volumetric method. A theoretical model has been presented to calculate the amount of adsorbed gas on adsorbents in a cylindrical tank. In the model, gas enters the bed ...

In this paper, a theory on the determination of the diffusion coefficient of the excess minority carriers of a silicon solar cell is presented. The expression of the diffusion coefficient, related to the modulation frequency, the irradiation energy and the damage coefficient is studied and then performed by using the impedance spectroscopy method and Bode and Nyquist diagrams. Based on the diff...

Bone tissue at nanoscale is a composite mainly made of apatite crystals, collagen molecules and water. This work is aimed to study the diffusion within bone nanostructure through Monte-Carlo simulations. To this purpose, an idealized geometric model of the apatite-collagen structure was developed. Gaussian probability distribution functions were employed to design the orientation of the apatite...

This paper concerns the Taylor-Aris dispersion of a dilute solute concentration immersed in a highly heterogeneous fluid flow having possibly sharp interfaces (discontinuities) in the diffusion coefficient and flow velocity. The focus is two-fold: (i) Calculation of the longitudinal effective dispersion coefficient, and (ii) sample path analysis of the underlying stochastic process governing th...