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...

Supramolecular assembly is a powerful method that can be used to generate materials with well-defined structures across multiple length scales. Supramolecular assemblies consisting of biopolymer-synthetic polymer subunits are specifically known to exhibit exceptional structural and functional diversity as well as programmable control of noncovalent interactions through hydrogen bonding in biopo...

This paper describes a diffusion-controlled electrolysis of glucose with mediated bioelectrocatalysis at microdisk-electrodes. Under conditions of an extremely fast enzyme reaction, compared with the diffusion of glucose, the current in potential-step chronoamperometry reaches an almost steady state within 10 s, and is proportional to the glucose concentration. The current can be detected at +0...

in a temperature gradient, see Fig.1. This is of our knowledge the first molecular dynamics study of a reacting system submitted to non-equilibrium conditions. The reaction, which is diffusion controlled, was investigated at and close to local chemical equilibrium. The transport properties are determines; i.e. diffusion, thermal conductivity and the coupling between transport of heat and mass. ...

Crystal dissolution may include three component processes: interface reaction, diffusion and complications due to convection. We report here a theoretical and experimental study of crystal dissolution in silicate melt without convection. A reaction-diffusion equation is developed and numerically solved. The results show that during non-convective crystal dissolution in silicate melt, the interf...

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...

Lead-rich slag as a green feedstock can be used in blast furnace or smelting reduction to produce lead metal. It is desirable understand the mechanisms of lead-rich optimize operations. The volume CO/CO2 gases was continuously measured experiments determine degree by carbon. effects CaO, Al2O3 and MgO on reaction kinetics with carbon were investigated temperature range 1073 1473 K. activation e...